1EJJ
CRYSTAL STRUCTURAL ANALYSIS OF PHOSPHOGLYCERATE MUTASE COCRYSTALLIZED WITH 3-PHOSPHOGLYCERATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-02-11 |
| Detector | BRANDEIS - B4 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 58.486, 206.293, 125.134 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 1.900 |
| R-factor | 0.2071 * |
| Rwork | 0.207 |
| R-free | 0.24700 |
| RMSD bond length | 0.007 * |
| RMSD bond angle | 1.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.099 | 0.233 |
| Number of reflections | 57256 | |
| <I/σ(I)> | 6.6 | |
| Completeness [%] | 96.2 | 85.1 |
| Redundancy | 3.8 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 22 * | Chander, M., (1999) J.Struct.Biol., 126, 156. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 50 (mg/ml) | |
| 2 | 1 | drop | 3-PGA | 150 (mM) | |
| 3 | 1 | reservoir | ammonium sulfate | 2.0 (M) | |
| 4 | 1 | reservoir | zinc acetate | 25 (mM) | |
| 5 | 1 | reservoir | 20 (mM) | ||
| 6 | 1 | reservoir | 2-mercaptoethanol | 15 (mM) | |
| 7 | 1 | reservoir | PEG200 | 3 (%) | |
| 8 | 1 | reservoir | Tris-HCl | 50 (mM) |
