4Y9X
Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate-glucose (UDP-Glc) and phosphoglyceric acid (PGA) - GpgS Mn2+ UDP-Glc PGA-3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-05-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | I 41 |
Unit cell lengths | 98.850, 98.850, 127.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.060 - 2.637 |
R-factor | 0.2161 |
Rwork | 0.214 |
R-free | 0.25160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dec |
RMSD bond length | 0.004 |
RMSD bond angle | 1.115 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.060 | 2.732 |
High resolution limit [Å] | 2.637 | 2.637 |
Rmerge | 0.052 | 0.573 |
Number of reflections | 18052 | |
<I/σ(I)> | 12.39 | |
Completeness [%] | 99.9 | 98.94 |
Redundancy | 5.7 | 9.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 14% PEG 8,000, 0.3-0.5 M Li sulfate |