5HC5
The structure of esterase Est22 mutant-S188A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 81.467, 121.802, 150.034 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.430 |
| R-factor | 0.16447 |
| Rwork | 0.161 |
| R-free | 0.22562 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.539 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 94.560 |
| High resolution limit [Å] | 2.430 |
| Number of reflections | 55338 |
| <I/σ(I)> | 8.66 |
| Completeness [%] | 96.2 |
| Redundancy | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 1M Sodium citrate, 0.1M imidazole, pH 8.0 |
