3L6B
X-ray crystal structure of human serine racemase in complex with malonate a potent inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97960 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 54.570, 84.290, 69.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.110 - 1.500 |
| R-factor | 0.161 |
| Rwork | 0.160 |
| R-free | 0.17700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | HUMAN SERINE RACEMASE SOLVED BY SELENOMETHIONINE SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.169 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.320 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.049 | 0.275 |
| Number of reflections | 52035 | |
| <I/σ(I)> | 13.9 | 4.4 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
