1AHY

ASPARTATE AMINOTRANSFERASE HEXAMUTANT


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
3.0659.84

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 85.93α = 90
b = 79.09β = 118.7
c = 89.72γ = 90
Symmetry
Space GroupP 1 21 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-rayIMAGE PLATEMARRESEARCH1993-10-02M
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
11.5418

Data Collection

Refinement

Statistics
Diffraction IDStructure Solution MethodResolution (High)Resolution (Low)Cut-off Sigma (F)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeMean Isotropic B
X-RAY DIFFRACTION2.3814263090.50.207
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
t_dihedral_angle_d24.3
t_it3.22
t_angle_deg2.05
t_bond_d0.011
t_gen_planes0.011
t_nbd0.008
t_trig_c_planes0.005
t_incorr_chiral_ct
t_pseud_angle
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms6142
Nucleic Acid Atoms
Solvent Atoms522
Heterogen Atoms46

Software

Software
Software NamePurpose
TNTrefinement
XDSdata reduction