4QHI
Crystal structure of Methanocaldococcus jannaschii selecase mutant R36W
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-04-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.8726 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.690, 101.090, 76.470 |
| Unit cell angles | 90.00, 99.83, 90.00 |
Refinement procedure
| Resolution | 42.000 - 2.300 |
| R-factor | 0.222 |
| Rwork | 0.222 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Dimeric selecase |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.000 | 42.000 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.101 | 0.101 |
| Number of reflections | 25107 | |
| <I/σ(I)> | 15 | 15 |
| Completeness [%] | 99.8 | 99.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.5 | 277 | 0.1M Tris-HCl, 0.15M NaCl (obtained after storage at 277K for one month), pH 7.5, EVAPORATION |
