4C4R
Structure of beta-phosphoglucomutase in complex with a phosphonate analogue of beta-glucose-1-phosphate and magnesium trifluoride
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-01-10 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.012, 54.201, 105.407 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.648 - 1.100 |
| R-factor | 0.1504 |
| Rwork | 0.149 |
| R-free | 0.17260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wf5 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.362 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.700 | 1.160 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.050 | 0.350 |
| Number of reflections | 82900 | |
| <I/σ(I)> | 12.7 | 4.9 |
| Completeness [%] | 93.1 | 85.7 |
| Redundancy | 4.7 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.2 | 27-32% PEG 4000, 50-75 MM MAGNESIUM ACETATE, pH 7.2 |
