8CN4
Pa.FabF-C164Q in complex with 5-acetamido-2-chlorobenzoic acid
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) | 0.98400 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.690, 84.240, 138.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 71.980 - 1.670 |
R-factor | 0.16432 |
Rwork | 0.163 |
R-free | 0.19567 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.585 |
Data reduction software | XDS |
Data scaling software | pointless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 71.981 | 1.697 |
High resolution limit [Å] | 1.668 | 1.668 |
Rmerge | 0.362 | 1.430 |
Number of reflections | 86444 | 3195 |
<I/σ(I)> | 11.3 | 2.2 |
Completeness [%] | 95.9 | 71.3 |
Redundancy | 12.1 | 10.3 |
CC(1/2) | 0.990 | 0.612 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate and 31.2% PEG3350 |