4DEC
Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate (UDP) and phosphoglyceric acid (PGA)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.87260 |
| Spacegroup name | I 41 |
| Unit cell lengths | 100.316, 100.316, 127.026 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.360 - 1.980 |
| R-factor | 0.1785 |
| Rwork | 0.177 |
| R-free | 0.20540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.566 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.2_869) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.360 | 2.100 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.062 | 0.498 |
| Number of reflections | 42409 | |
| <I/σ(I)> | 12.4 | 2.02 |
| Completeness [%] | 96.9 | 98.4 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 5mM UDP, 5mM 3PG, 5mM MnCl2, Tris-HCL pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
