1EGH
STRUCTURE OF METHYLGLYOXAL SYNTHASE COMPLEXED WITH THE COMPETITIVE INHIBITOR 2-PHOSPHOGLYCOLATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-09-04 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.120, 129.870, 178.550 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.187 |
| Rwork | 0.187 |
| R-free | 0.21900 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.070 | 0.287 |
| Total number of observations | 166553 * | |
| Number of reflections | 74966 | |
| <I/σ(I)> | 17.3 | |
| Completeness [%] | 88.8 | 63.7 |
| Redundancy | 2.2 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 * | 298 | PEG 1500, sodium cacodylate, imidazole-HCL, potassium phosphate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG1500 | 18 (%) | |
| 2 | 1 | reservoir | sodium cacodylate | 100 (mM) | |
| 3 | 1 | drop | protein | 25 (mg/ml) | |
| 4 | 1 | drop | imidazole-HCl | 20 (mM) | |
| 5 | 1 | drop | potassium phosphate | 1 (mM) | |
| 6 | 1 | drop | 2-phosphoglycolate | 10 (mM) |
