7BL7
Crystal structure of UMPK from M. tuberculosis in complex with UDP and UTP (P21212 form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-13 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 151.230, 165.750, 125.020 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.950 - 3.330 |
R-factor | 0.1964 |
Rwork | 0.192 |
R-free | 0.27430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nwy |
RMSD bond length | 0.013 |
RMSD bond angle | 1.275 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.950 | 3.270 |
High resolution limit [Å] | 3.080 | 3.080 |
Rmerge | 0.292 | 1.263 |
Number of reflections | 57888 | 8576 |
<I/σ(I)> | 8.2 | 1.69 |
Completeness [%] | 98.7 | |
Redundancy | 12.3 | |
CC(1/2) | 0.995 | 0.922 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.7 | 293 | 1 M LiCl, 20 % (w/v) PEG 8K and 0.1 M Tris pH 8.7 |