1KSI

CRYSTAL STRUCTURE OF A EUKARYOTIC (PEA SEEDLING) COPPER-CONTAINING AMINE OXIDASE AT 2.2A RESOLUTION


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
14.8PROTEIN WAS CRYSTALLIZED FROM 1.44M LITHIUM SULFATE, PH 4.8.
Crystal Properties
Matthews coefficientSolvent content
3.3762

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 85.37α = 90
b = 114.64β = 90
c = 199.94γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray287DIFFRACTOMETERWEISSENBERGMIRRORS1994-01-13M
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONPHOTON FACTORY BEAMLINE BL-6APhoton FactoryBL-6A

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (Observed)Net I Over Average Sigma (I)RedundancyNumber Reflections (All)Number Reflections (Observed)Observed Criterion Sigma (F)Observed Criterion Sigma (I)B (Isotropic) From Wilson Plot
12.25095.70.059886780-3
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.22.355.11.1

Refinement

Statistics
Diffraction IDStructure Solution MethodResolution (High)Resolution (Low)Cut-off Sigma (F)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-WorkR-FreeMean Isotropic B
X-RAY DIFFRACTIONSIROAS2.2718672386.50.18123
Temperature Factor Modeling
Anisotropic B[1][1]Anisotropic B[1][2]Anisotropic B[1][3]Anisotropic B[2][2]Anisotropic B[2][3]Anisotropic B[3][3]
RMS Deviations
KeyRefinement Restraint Deviation
p_staggered_tor18.5
p_planar_tor4.4
p_scangle_it3.5
p_mcangle_it2.7
p_scbond_it2.3
p_mcbond_it1.7
p_multtor_nbd0.231
p_singtor_nbd0.203
p_angle_d0.04
p_planar_d0.04
RMS Deviations
KeyRefinement Restraint Deviation
p_staggered_tor18.5
p_planar_tor4.4
p_scangle_it3.5
p_mcangle_it2.7
p_scbond_it2.3
p_mcbond_it1.7
p_multtor_nbd0.231
p_singtor_nbd0.203
p_angle_d0.04
p_planar_d0.04
p_bond_d0.015
p_plane_restr0.009
p_angle_deg
p_hb_or_metal_coord
p_chiral_restr
p_xhyhbond_nbd
p_xyhbond_nbd
p_orthonormal_tor
p_transverse_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms10324
Nucleic Acid Atoms
Solvent Atoms571
Heterogen Atoms88

Software

Software
Software NamePurpose
DENZOdata reduction
SCALEPACKdata scaling
CCP4model building
PROLSQrefinement
CCP4phasing