4Y6N
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-1
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 | 2013-05-22 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97625 |
Spacegroup name | I 41 |
Unit cell lengths | 98.730, 98.730, 127.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.009 - 2.348 |
R-factor | 0.1744 |
Rwork | 0.173 |
R-free | 0.19980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dec |
RMSD bond length | 0.013 |
RMSD bond angle | 1.314 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.010 | 2.432 |
High resolution limit [Å] | 2.348 | 2.348 |
Rmerge | 0.043 | 0.612 |
Number of reflections | 25437 | |
<I/σ(I)> | 13.54 | 1.5 |
Completeness [%] | 99.8 | 97.87 |
Redundancy | 6.7 | 9.4 |
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 |