1W1O

Native Cytokinin Dehydrogenase


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
14.6pH 4.60
Crystal Properties
Matthews coefficientSolvent content
3.564.81

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 171.693α = 90
b = 171.693β = 90
c = 54.322γ = 90
Symmetry
Space GroupP 42 21 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray1002003-10-04MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONESRF BEAMLINE ID14-1ESRFID14-1

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
11.73098.80.0814.64.988469
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)
11.71.7997.90.344.44.7

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (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 DIFFRACTIONSIRTHROUGHOUT1.71583839442698.90.1990.1980.215RANDOM21.97
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]
0.460.46-0.92
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg5.268
r_scangle_it1.809
r_scbond_it1.066
r_angle_refined_deg0.933
r_mcangle_it0.702
r_mcbond_it0.356
r_nbd_refined0.172
r_symmetry_vdw_refined0.167
r_symmetry_hbond_refined0.076
r_xyhbond_nbd_refined0.065
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg5.268
r_scangle_it1.809
r_scbond_it1.066
r_angle_refined_deg0.933
r_mcangle_it0.702
r_mcbond_it0.356
r_nbd_refined0.172
r_symmetry_vdw_refined0.167
r_symmetry_hbond_refined0.076
r_xyhbond_nbd_refined0.065
r_chiral_restr0.064
r_bond_refined_d0.006
r_gen_planes_refined0.002
r_bond_other_d
r_angle_other_deg
r_dihedral_angle_2_deg
r_dihedral_angle_3_deg
r_dihedral_angle_4_deg
r_gen_planes_other
r_nbd_other
r_nbtor_refined
r_nbtor_other
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_mcbond_other
r_mcangle_other
r_scbond_other
r_scangle_other
r_long_range_B_refined
r_long_range_B_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms3671
Nucleic Acid Atoms
Solvent Atoms627
Heterogen Atoms123

Software

Software
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
SCALAdata scaling
CCP4phasing