1O98
1.4A CRYSTAL STRUCTURE OF PHOSPHOGLYCERATE MUTASE FROM BACILLUS STEAROTHERMOPHILUS COMPLEXED WITH 2-PHOSPHOGLYCERATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 170 |
| Detector technology | CCD |
| Collection date | 2000-10-15 |
| Detector | OXFORD INSTRUMENTS (PX210) |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 58.515, 205.787, 125.018 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.400 |
| R-factor | 0.19 |
| Rwork | 0.190 |
| R-free | 0.19800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eqj |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.320 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.087 | 0.477 |
| Number of reflections | 133179 | |
| <I/σ(I)> | 19.5 | 1.5 |
| Completeness [%] | 90.2 | 49.2 |
| Redundancy | 7.4 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.7 | AMMONIUM SULFATE, SODIUM CITRATE, ZINC ACETATE, CELSIUM CHLORIDE, PEG200, BETA- MERCAPTOETHANOL, pH 6.70 |
