5L9Q
OCEANOBACILLUS IHEYENSIS MACRODOMAIN WITH ADP
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 | 2013-06-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.342, 95.714, 54.734 |
| Unit cell angles | 90.00, 115.59, 90.00 |
Refinement procedure
| Resolution | 47.860 - 1.750 |
| R-factor | 0.17247 |
| Rwork | 0.170 |
| R-free | 0.19833 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1spv |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.556 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.860 | 1.850 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.328 | |
| Number of reflections | 40508 | |
| <I/σ(I)> | 9.9 | 2.3 |
| Completeness [%] | 91.7 | 63 |
| Redundancy | 2.2 | 1.9 |
| CC(1/2) | 0.994 | 0.739 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.2 M ammonium sulfate, 0.1 M MES pH 6.5, 30% (w/v) PEGMME 5K, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K |
