1GPE

GLUCOSE OXIDASE FROM PENICILLIUM AMAGASAKIENSE


X-RAY DIFFRACTION

Starting Model(s)

Initial Refinement Model(s)
TypeSourceAccession CodeDetails
experimental modelPDB 1GALPDB ENTRY 1GAL

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
17.41.3 M AMMONIUM SULPHATE, 0.1 M CITRATE-PO4 BUFFER PH 7.4
Crystal Properties
Matthews coefficientSolvent content
2.2144

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 57.6α = 90
b = 132.1β = 90
c = 151.3γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray290IMAGE PLATEMARRESEARCHMIRRORSMSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONMPG/DESY, HAMBURG BEAMLINE BW6MPG/DESY, HAMBURGBW6

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
11.82094.70.06818.42.510199912.5
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
11.81.88900.1328.52

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUTPDB ENTRY 1GAL1.820101999511494.70.1640.160.198RANDOM14.9
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_tor37.8
p_special_tor15
p_staggered_tor13.4
p_planar_tor3.7
p_scangle_it2.101
p_mcangle_it1.51
p_scbond_it1.339
p_mcbond_it0.95
p_multtor_nbd0.242
p_singtor_nbd0.185
RMS Deviations
KeyRefinement Restraint Deviation
p_transverse_tor37.8
p_special_tor15
p_staggered_tor13.4
p_planar_tor3.7
p_scangle_it2.101
p_mcangle_it1.51
p_scbond_it1.339
p_mcbond_it0.95
p_multtor_nbd0.242
p_singtor_nbd0.185
p_xyhbond_nbd0.158
p_chiral_restr0.104
p_planar_d0.03
p_angle_d0.028
p_plane_restr0.021
p_bond_d0.008
p_angle_deg
p_hb_or_metal_coord
p_xhyhbond_nbd
p_orthonormal_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms9018
Nucleic Acid Atoms
Solvent Atoms709
Heterogen Atoms340

Software

Software
Software NamePurpose
DENZOdata reduction
SCALEPACKdata scaling
MERLOTphasing
REFMACrefinement