5X8Z
Unique Choloylglycine Hydrolase(CGH) member from Shewanella loihica PV-4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-15 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.972400 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 99.397, 52.337, 140.068 |
| Unit cell angles | 90.00, 103.81, 90.00 |
Refinement procedure
| Resolution | 89.430 - 1.500 |
| R-factor | 0.19135 |
| Rwork | 0.190 |
| R-free | 0.21616 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hbc |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.240 |
| 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] | 89.430 |
| High resolution limit [Å] | 1.500 |
| Rmerge | 0.060 |
| Number of reflections | 109332 |
| <I/σ(I)> | 13.8 |
| Completeness [%] | 97.6 |
| Redundancy | 3.5 |
| CC(1/2) | 0.997 |
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 |
