5HKI
Crystal structure of Mycobacterium tuberculosis H37Rv orotate phosphoribosyltransferase in complex with Fe(III) dicitrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-11-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976 |
Spacegroup name | P 1 |
Unit cell lengths | 52.421, 60.262, 65.181 |
Unit cell angles | 85.64, 89.90, 79.96 |
Refinement procedure
Resolution | 64.990 - 2.400 |
R-factor | 0.19849 |
Rwork | 0.195 |
R-free | 0.26015 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2p1z |
RMSD bond length | 0.013 |
RMSD bond angle | 1.843 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.170 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.110 | 0.430 |
Number of reflections | 18336 | |
<I/σ(I)> | 8.74 | 2.78 |
Completeness [%] | 95.3 | 94.4 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.01M Iron(III) chloride hexahydrate, 0.1M Sodium citrate tribasic dihydrate pH 6.1, 10% (v/v) Jeffamine M-600 |