3ZWD
The 3-dimensional structure of MpgP from Thermus thermophilus HB27, in complex with the alpha-mannosylglycerate.
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 | 2010-07-03 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.868, 70.239, 91.783 |
| Unit cell angles | 90.00, 95.68, 90.00 |
Refinement procedure
| Resolution | 28.769 - 1.917 |
| R-factor | 0.1637 |
| Rwork | 0.161 |
| R-free | 0.21450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zty |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.986 |
| 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 | 2.030 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Rmerge | 0.040 | 0.280 |
| Number of reflections | 37993 | |
| <I/σ(I)> | 20.28 | 3.74 |
| Completeness [%] | 98.0 | 92.9 |
| Redundancy | 3.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | SEE REFERENCE 1, pH 6.5 |
