5JQX
Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with phosphoglyceric acid (PGA) - GpgS*PGA
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 | 2014-05-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97950 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 138.668, 128.180, 138.444 |
Unit cell angles | 90.00, 90.34, 90.00 |
Refinement procedure
Resolution | 44.504 - 2.820 |
R-factor | 0.2083 |
Rwork | 0.207 |
R-free | 0.22810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dec |
RMSD bond length | 0.002 |
RMSD bond angle | 0.634 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.504 | 2.921 |
High resolution limit [Å] | 2.820 | 2.820 |
Rmerge | 0.066 | 0.549 |
Number of reflections | 58106 | |
<I/σ(I)> | 10.48 | 2.29 |
Completeness [%] | 99.4 | 99.09 |
Redundancy | 3 | 2.9 |
CC(1/2) | 0.996 |
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 |