7X5J
ACP-dependent oxoacyl reductase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-12 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.978 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 107.623, 224.972, 152.371 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 97.275 - 2.100 |
Rwork | 0.200 |
R-free | 0.24690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3osu |
RMSD bond length | 0.008 |
RMSD bond angle | 1.517 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 152.370 | 152.370 | 2.140 |
High resolution limit [Å] | 2.100 | 11.500 | 2.100 |
Rmerge | 0.212 | 0.129 | 1.757 |
Rmeas | 0.229 | 0.138 | 1.896 |
Rpim | 0.086 | 0.050 | 0.706 |
Number of reflections | 105199 | 105218 | 105218 |
<I/σ(I)> | 7.1 | ||
Completeness [%] | 97.9 | ||
Redundancy | 13.4 | 12.6 | 13.8 |
CC(1/2) | 0.990 | 0.985 | 0.699 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 20%(v/v) Butanediol, 0.1 M Sodium acetate pH 4.5 |