1IK4
X-ray Structure of Methylglyoxal Synthase from E. coli Complexed with Phosphoglycolohydroxamic Acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-06-17 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.050, 129.530, 178.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.169 * |
| Rwork | 0.169 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 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 | 0.081 | 0.284 |
| Total number of observations | 467479 * | |
| Number of reflections | 84272 | |
| <I/σ(I)> | 18.7 | |
| Completeness [%] | 81.6 | 51.5 |
| Redundancy | 5.5 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 * | 298 | PEG 1500, Sodium Cacodylate, 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 (mM) | |
| 4 | 1 | drop | imidazole-HCl | 50 (mM) | |
| 5 | 1 | drop | potassium phosphate | 1 (mM) | |
| 6 | 1 | drop | PGH | 10 (mM) |
