4QHJ
Crystal structure of Methanocaldococcus jannaschii selecase mutant I100F+H107F
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 | 2014-05-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.390, 49.840, 104.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.400 - 1.750 |
| R-factor | 0.185 |
| Rwork | 0.185 |
| R-free | 0.19600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Dimeric selecase |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.400 | 52.400 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.054 | 0.054 |
| Number of reflections | 26633 | |
| <I/σ(I)> | 24.4 | 24.4 |
| Completeness [%] | 99.2 | 99.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.1M sodium cacodylate, 1M sodium acetate trihydrate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
