1A65

TYPE-2 CU-DEPLETED LACCASE FROM COPRINUS CINEREUS


X-RAY DIFFRACTION

Starting Model(s)

Initial Refinement Model(s)
TypeSourceAccession CodeDetails
experimental modelPDB 1AOZ 

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
15.5pH 5.5
Crystal Properties
Matthews coefficientSolvent content
2.5551.74

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 45.39α = 90
b = 85.72β = 90
c = 143.07γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray273IMAGE PLATEMARRESEARCHLONG FOCUSSING MIRRORS1996-07-30M
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1ROTATING ANODERIGAKU RUH2R

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (Observed)R Sym 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
12.22099.60.10.18.45.415229522
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)R-Sym I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.232.3598.50.270.274.85.2

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT1AOZ2.231227750136699.60.160.22RANDOM22
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_transverse_tor29.7
p_staggered_tor19.1
p_planar_tor4.2
p_scangle_it2.673
p_mcangle_it2.005
p_scbond_it1.768
p_mcbond_it1.319
p_multtor_nbd0.238
p_singtor_nbd0.184
p_xyhbond_nbd0.173
RMS Deviations
KeyRefinement Restraint Deviation
p_transverse_tor29.7
p_staggered_tor19.1
p_planar_tor4.2
p_scangle_it2.673
p_mcangle_it2.005
p_scbond_it1.768
p_mcbond_it1.319
p_multtor_nbd0.238
p_singtor_nbd0.184
p_xyhbond_nbd0.173
p_chiral_restr0.141
p_planar_d0.034
p_angle_d0.033
p_bond_d0.011
p_plane_restr0.0088
p_angle_deg
p_hb_or_metal_coord
p_xhyhbond_nbd
p_orthonormal_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms3848
Nucleic Acid Atoms
Solvent Atoms296
Heterogen Atoms24

Software

Software
Software NamePurpose
DENZOdata reduction
SCALAdata scaling
AMoREphasing
REFMACrefinement
CCP4data scaling