1O99
CRYSTAL STRUCTURE OF THE S62A MUTANT 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] | 100 |
| Detector technology | CCD |
| Collection date | 2000-10-15 |
| Detector | OXFORD INSTRUMENTS (PX210) |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 58.712, 207.758, 126.235 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.650 |
| R-factor | 0.199 |
| Rwork | 0.199 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eqj |
| RMSD bond length | 0.007 |
| RMSD bond angle | 22.500 * |
| 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] | 50.000 | 2.740 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.121 | 0.618 |
| Number of reflections | 16760 | |
| <I/σ(I)> | 8.4 | 1.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.7 | 8.0 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.7 | AMMONIUM SULFATE, SODIUM CITRATE, ZINC ACETATE, CELSIUM CHLORIDE, PEG200, BETA- MERCAPTOETHANOL, pH 6.70 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 25 (mg/ml) | |
| 2 | 1 | reservoir | ammonium sulfate | 2.0 (M) | |
| 3 | 1 | reservoir | zinc acetate | 25.0 (mM) | |
| 4 | 1 | reservoir | caesium chloride | 20.0 (mM) | |
| 5 | 1 | reservoir | beta-mercaptoethanol | 15.0 (mM) | |
| 6 | 1 | reservoir | PEG200 | 3 (%(w/v)) | |
| 7 | 1 | reservoir | 2PGA | 150 (mM) |
