5O9P
Crystal structure of Gas2 in complex with compound 10
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-10-10 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.067, 70.953, 150.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.500 - 1.750 |
| R-factor | 0.21166 |
| Rwork | 0.211 |
| R-free | 0.24461 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w62 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.600 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.500 | 1.850 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.164 | 0.555 |
| Number of reflections | 54873 | |
| <I/σ(I)> | 5.7 | 2 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 5.9 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG 3500, ammonium sulfate, BIS-Tris pH 6 |
