3ZU6
The 3-dimensional structure of MpgP from Thermus thermophilus HB27, in complex with the alpha-mannosylglycerate and orthophosphate reaction products.
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 | 39.930, 70.530, 92.630 |
| Unit cell angles | 90.00, 95.70, 90.00 |
Refinement procedure
| Resolution | 20.852 - 1.900 |
| R-factor | 0.1851 |
| Rwork | 0.182 |
| R-free | 0.23760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zty |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.114 |
| 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] | 50.000 | 2.010 |
| High resolution limit [Å] | 1.900 | 1.890 |
| Rmerge | 0.130 | 0.730 |
| Number of reflections | 114899 | |
| <I/σ(I)> | 7.9 | 1.93 |
| Completeness [%] | 95.0 | 85.7 |
| Redundancy | 2.9 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | SEE REMARK 1 REFERENCE ABOVE., pH 6.5 |
