8CNG
Pa.FabF-C164Q in complex with ~{N}-cyclopentyl-3-methyl-1~{H}-pyrazole-5-carboxamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-04-25 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.984002 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.737, 83.898, 137.445 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.670 - 2.100 |
| R-factor | 0.18979 |
| Rwork | 0.188 |
| R-free | 0.23086 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.345 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.650 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 45179 | 3638 |
| <I/σ(I)> | 7.4 | 3.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.7 | 12 |
| CC(1/2) | 0.983 | 0.750 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate and 31.2% PEG3350 |
