6ZUJ
Human serine racemase holoenzyme from 20% DMSO soak (XChem crystallographic 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 | 2018-07-13 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.062, 154.998, 85.652 |
| Unit cell angles | 90.00, 98.26, 90.00 |
Refinement procedure
| Resolution | 84.764 - 1.800 |
| Rwork | 0.179 |
| R-free | 0.21980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6slh |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.319 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.764 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.068 | 0.704 |
| Rmeas | 0.081 | 0.829 |
| Rpim | 0.043 | 0.436 |
| Number of reflections | 111815 | 5444 |
| <I/σ(I)> | 9.46 | 1.69 |
| Completeness [%] | 97.8 | 95.61 |
| Redundancy | 3.41 | 3.54 |
| CC(1/2) | 0.997 | 0.651 |
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 |
