5HV4
Crystal Structure of a Prolyl 4-Hydroxylase Complexed with Alpha-ketoglutarate from the Pathogenic Bacterium Bacillus anthracis in C2221
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-03-02 |
Detector | NOIR-1 |
Wavelength(s) | 1.00 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 42.551, 146.189, 75.075 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.370 - 2.350 |
R-factor | 0.201 |
Rwork | 0.199 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3itq |
RMSD bond length | 0.006 |
RMSD bond angle | 0.518 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.372 | 2.480 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.377 | |
Number of reflections | 10150 | |
<I/σ(I)> | 15.8 | 1.9 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 7 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | 0.1 M HEPES pH 7.8, 0.05 M Cadmium sulfate, 0.9 M Sodium acetate tri-hydrate, 0.1 M Ammonium sulfate |