8COV
Pa.FabF-C164Q in complex with 6-chloro-2-methyl-1H-indole-5-carboxylic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-09-27 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.976252 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.392, 65.344, 84.223 |
| Unit cell angles | 90.00, 102.32, 90.00 |
Refinement procedure
| Resolution | 51.220 - 1.800 |
| R-factor | 0.16938 |
| Rwork | 0.168 |
| R-free | 0.19523 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.348 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.290 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.092 | 0.692 |
| Number of reflections | 68897 | 21137 |
| <I/σ(I)> | 9.4 | 1.8 |
| Completeness [%] | 98.1 | 96.7 |
| Redundancy | 5.4 | |
| CC(1/2) | 0.997 | 0.797 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate and 31.2% PEG3350 |
