1EQJ
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] | 100 |
| Detector technology | CCD |
| Collection date | 1999-10-01 |
| Detector | CUSTOM-MADE |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 58.407, 205.688, 123.706 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| Rwork | 0.218 |
| R-free | 0.25800 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.319 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.112 | 0.469 |
| Total number of observations | 375113 * | |
| Number of reflections | 81769 | |
| <I/σ(I)> | 6.4 | |
| Completeness [%] | 99.4 | 96.1 |
| Redundancy | 4.6 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 295 | ammonium sulfate, sodium citrate, zinc acetate, celsium chloride, PEG200, beta-mercaptoethanol , pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 25 (mg/ml) | |
| 2 | 1 | drop | 2PGA | 150 (mM) | in water |
| 3 | 1 | reservoir | ammonium sulfate | 2.1 (M) | |
| 4 | 1 | reservoir | sodium citrate | 100 (mM) | |
| 5 | 1 | reservoir | zinc acetate | 25 (mM) | |
| 6 | 1 | reservoir | 20 (mM) | ||
| 7 | 1 | reservoir | PEG200 | 3 (%) | |
| 8 | 1 | reservoir | beta-mercaptoethanol | 1 (mM) |
