9WRO
moderate-substrate specificity amino acid racemase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-12-16 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 89.567, 89.567, 219.309 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.910 - 1.600 |
| R-factor | 0.17085 |
| Rwork | 0.170 |
| R-free | 0.19442 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.678 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.910 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.087 | 1.800 |
| Rmeas | 0.091 | 1.950 |
| Rpim | 0.025 | 0.529 |
| Total number of observations | 77886 | |
| Number of reflections | 118257 | 5776 |
| <I/σ(I)> | 16.7 | 1.6 |
| Completeness [%] | 100.0 | |
| Redundancy | 13.2 | 13.5 |
| CC(1/2) | 0.999 | 0.636 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | Jeffamine M600, sodium citate buffer, FeCl3 |
