8COU
Pa.FabF-C164Q in complex with 3-acetamido-4-methoxybenzoic 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 | 2021-09-21 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.976250 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.924, 64.631, 84.390 |
| Unit cell angles | 90.00, 106.35, 90.00 |
Refinement procedure
| Resolution | 46.910 - 1.680 |
| R-factor | 0.17508 |
| Rwork | 0.174 |
| R-free | 0.19795 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.581 |
| 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] | 80.990 | 1.710 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.117 | 1.130 |
| Number of reflections | 82149 | 4351 |
| <I/σ(I)> | 6.3 | 1.3 |
| Completeness [%] | 98.6 | 98.4 |
| Redundancy | 2.8 | 2.8 |
| CC(1/2) | 0.986 | 0.359 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate and 31.2% PEG3350 |
