7NBD
Crystal structure of human serine racemase in complex with DSiP fragment Z235449082, 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) | 0.91578 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.012, 154.846, 85.451 |
| Unit cell angles | 90.00, 98.04, 90.00 |
Refinement procedure
| Resolution | 84.600 - 1.865 |
| Rwork | 0.176 |
| R-free | 0.20740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6zuj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.669 |
| 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] | 84.610 | 1.970 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.073 | 0.912 |
| Rmeas | 0.100 | |
| Number of reflections | 96340 | 12195 |
| <I/σ(I)> | 8.9 | 1.1 |
| Completeness [%] | 94.0 | 82 |
| Redundancy | 3.5 | 3.5 |
| CC(1/2) | 0.998 | 0.470 |
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 |
