4Y7G
Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate-glucose (UDP-Glc) and glycerol 3-phosphate (G3P) - GpgS Mn2+ UDP-Glc G3P
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-08-10 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97625 |
Spacegroup name | I 41 |
Unit cell lengths | 98.180, 98.180, 127.340 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.960 - 2.590 |
R-factor | 0.1858 |
Rwork | 0.184 |
R-free | 0.21170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dec |
RMSD bond length | 0.011 |
RMSD bond angle | 1.377 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.960 | 2.682 |
High resolution limit [Å] | 2.590 | 2.590 |
Rmerge | 0.058 | 0.347 |
Number of reflections | 18709 | |
<I/σ(I)> | 6 | 1.8 |
Completeness [%] | 99.7 | 99.24 |
Redundancy | 3.6 | 5.8 |
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 |