5X9I
Unique Choloylglycine Hydrolase(CGH) member Mutant (C1S) from Shewanella loihica PV-4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | FLAT PANEL |
| Collection date | 2016-02-28 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.97855 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 150.788, 52.420, 99.205 |
| Unit cell angles | 90.00, 115.96, 90.00 |
Refinement procedure
| Resolution | 35.891 - 1.500 |
| R-factor | 0.18574 |
| Rwork | 0.185 |
| R-free | 0.20767 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hbc |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.076 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.500 |
| Number of reflections | 105996 |
| <I/σ(I)> | 12.2 |
| Completeness [%] | 100.0 |
| Redundancy | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293.15 | PEG 3350, sodium sulphate, 2-Methyl-2, 4-pentanediol |
