3ZX4
The 3-dimensional structure of MpgP from Thermus thermophilus HB27, in complex with the alpha-mannosylglycerate,orthophosphate and magnesium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-03 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.900, 70.740, 92.300 |
| Unit cell angles | 90.00, 95.36, 90.00 |
Refinement procedure
| Resolution | 38.533 - 1.740 |
| R-factor | 0.1746 |
| Rwork | 0.172 |
| R-free | 0.21910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zty |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.020 |
| 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] | 60.000 | 1.790 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.060 | 0.290 |
| Number of reflections | 50839 | |
| <I/σ(I)> | 11.81 | 3.06 |
| Completeness [%] | 96.8 | 91.1 |
| Redundancy | 3.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | SEE REMARK 1 REFERENCE ABOVE, pH 6.5 |
