7YKQ
Crystal structure of a novel alpha/beta hydrolase mutant from thermomonospora curvata in apo form
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 | 2021-10-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 87.251, 63.593, 91.537 |
Unit cell angles | 90.00, 97.80, 90.00 |
Refinement procedure
Resolution | 45.340 - 2.360 |
R-factor | 0.2103 |
Rwork | 0.208 |
R-free | 0.24620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jfr |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
High resolution limit [Å] | 2.360 | 5.080 | 2.360 |
Rmerge | 0.309 | 0.161 | 1.194 |
Rmeas | 0.322 | 0.168 | 1.268 |
Rpim | 0.092 | 0.048 | 0.420 |
Number of reflections | 40804 | 4205 | 4039 |
<I/σ(I)> | 3.2 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 12 | 12.8 | 8.2 |
CC(1/2) | 0.957 | 0.973 | 0.791 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 20% PEG 8000, 0.1M HEPES pH 7.5, 10% glycerol |