3ZX5
The 3-dimensional structure of MpgP from Thermus thermophilus HB27, covalently bound to vanadate and in complex with alpha- mannosylglycerate and magnesium
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 | 2011-02-17 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.948, 71.263, 91.217 |
| Unit cell angles | 90.00, 95.52, 90.00 |
Refinement procedure
| Resolution | 28.772 - 1.810 |
| R-factor | 0.1702 |
| Rwork | 0.168 |
| R-free | 0.21260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zty |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.072 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.920 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.080 | 0.540 |
| Number of reflections | 46178 | |
| <I/σ(I)> | 8.99 | 1.92 |
| Completeness [%] | 99.2 | 98.8 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | SEE REFERENCE 1 IN REMARK 1., pH 6.5 |
