7NBF
Crystal structure of human serine racemase in complex with DSiP fragment Z126932614, XChem fragment screen.
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-16 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.112, 154.937, 85.539 |
| Unit cell angles | 90.00, 97.96, 90.00 |
Refinement procedure
| Resolution | 84.700 - 1.600 |
| Rwork | 0.172 |
| R-free | 0.19820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6zuj |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.882 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.716 | 1.630 |
| High resolution limit [Å] | 1.599 | 1.599 |
| Rmerge | 0.059 | 0.658 |
| Rmeas | 0.082 | 0.889 |
| Number of reflections | 158956 | 7536 |
| <I/σ(I)> | 8.9 | 1.1 |
| Completeness [%] | 97.6 | 93.4 |
| Redundancy | 3.3 | 2.7 |
| CC(1/2) | 0.997 | 0.383 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 293 | 100 mM MES pH 6.2 100 mM calcium chloride 5% ethylene glycol 20% PEG Smear Broad |
