5JT0
Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate (UDP) and glucosyl-3-phosphoglycerate (GPG) - GpgS*GPG*UDP*Mn2+
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 | 2015-02-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97933 |
| Spacegroup name | I 41 |
| Unit cell lengths | 98.734, 98.734, 127.589 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.816 - 2.800 |
| R-factor | 0.194 |
| Rwork | 0.193 |
| R-free | 0.21830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4y6n |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.029 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_2219: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.820 | 2.569 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Rmerge | 0.096 | |
| Number of reflections | 21639 | |
| <I/σ(I)> | 7.93 | 0.96 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.4 | 6.3 |
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 |
