8WBK
Crystal structure of cis-Epoxysuccinate Hydrolases RhCESH[L]
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-04-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.130, 55.620, 64.200 |
| Unit cell angles | 67.34, 75.80, 75.80 |
Refinement procedure
| Resolution | 34.460 - 2.150 |
| R-factor | 0.2092 |
| Rwork | 0.205 |
| R-free | 0.25780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.845 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.400 | 2.210 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.051 | 0.165 |
| Rmeas | 0.072 | 0.233 |
| Rpim | 0.051 | 0.165 |
| Total number of observations | 52583 | 3972 |
| Number of reflections | 26753 | 2005 |
| <I/σ(I)> | 8.5 | 3.1 |
| Completeness [%] | 95.5 | |
| Redundancy | 2 | 2 |
| CC(1/2) | 0.993 | 0.964 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2M potassium sodium tartrate tetrahydrate, 0.1M sodium citrate tribasic dihydrate pH5.6, 2.0M ammonium sulfate |
