2WVL
Mannosyl-3-phosphoglycerate synthase from Thermus thermophilus HB27 in complex with GDP-alpha-D-Mannose and Mg(II)
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 113.456, 113.456, 195.982 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.080 - 2.806 |
| R-factor | 0.17579 |
| Rwork | 0.173 |
| R-free | 0.23396 |
| Structure solution method | MAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.669 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHELXCDE |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.100 | 2.970 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.070 | 1.510 |
| Number of reflections | 32332 | |
| <I/σ(I)> | 15.62 | 1.23 |
| Completeness [%] | 99.3 | 98.8 |
| Redundancy | 6.1 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.2 M MAGNESIUM ACETATE, 0.1 M SODIUM CACODYLATE PH 6.5, 30-35% MPD WITH 600 MM ZNCL2 AS AN ADDITIVE, CO-CRYSTALLIZED WITH 1-5 MM GDP-ALPHA-D-MANNOSE |
