3L6C
X-ray crystal structure of rat serine racemase in complex with malonate a potent inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-08-12 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54187 |
| Spacegroup name | P 3 |
| Unit cell lengths | 110.593, 110.593, 47.917 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.890 - 2.200 |
| R-factor | 0.219 |
| Rwork | 0.216 |
| R-free | 0.26700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | HUMAN SERINE RACEMASE SOLVED BY SELENOMETHIONINE SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.604 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.290 | 2.330 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.060 | 0.311 |
| Number of reflections | 30389 | |
| <I/σ(I)> | 9.4 | 2.1 |
| Completeness [%] | 97.7 | 83.4 |
| Redundancy | 2.5 | 1.55 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
