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5HV4

Crystal Structure of a Prolyl 4-Hydroxylase Complexed with Alpha-ketoglutarate from the Pathogenic Bacterium Bacillus anthracis in C2221

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 4.2.2
Synchrotron siteALS
Beamline4.2.2
Temperature [K]100
Detector technologyCCD
Collection date2014-03-02
DetectorNOIR-1
Wavelength(s)1.00
Spacegroup nameC 2 2 21
Unit cell lengths42.551, 146.189, 75.075
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution52.370 - 2.350
R-factor0.201
Rwork0.199
R-free0.24500
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3itq
RMSD bond length0.006
RMSD bond angle0.518
Data reduction softwareXDS
Data scaling softwareSCALA (3.3.22)
Phasing softwarePHASER
Refinement softwarePHENIX ((1.10_2155: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]52.3722.480
High resolution limit [Å]2.3502.350
Rmerge0.377
Number of reflections10150
<I/σ(I)>15.81.9
Completeness [%]99.999.9
Redundancy77.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.82930.1 M HEPES pH 7.8, 0.05 M Cadmium sulfate, 0.9 M Sodium acetate tri-hydrate, 0.1 M Ammonium sulfate

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