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) |