5HC0
Structure of esterase Est22 with p-nitrophenol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 121.823, 57.220, 54.578 |
| Unit cell angles | 90.00, 97.46, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.400 |
| R-factor | 0.13292 |
| Rwork | 0.132 |
| R-free | 0.15808 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hc4 |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.393 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.400 |
| Number of reflections | 72570 |
| <I/σ(I)> | 16.8 |
| Completeness [%] | 96.2 |
| Redundancy | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1M MES, pH 5.5, 0.2M Ca(Ac)2, 20% PEG 8000 |
