5L9K
OCEANOBACILLUS IHEYENSIS MACRODOMAIN WITH ADPR
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 PILATUS3 6M |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.368, 96.696, 54.353 |
| Unit cell angles | 90.00, 115.84, 90.00 |
Refinement procedure
| Resolution | 48.350 - 1.770 |
| R-factor | 0.15258 |
| Rwork | 0.152 |
| R-free | 0.16873 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1spv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.722 |
| 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] | 48.950 | 1.870 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.470 | |
| Number of reflections | 41381 | |
| <I/σ(I)> | 13.1 | 2.2 |
| Completeness [%] | 97.2 | 84.1 |
| Redundancy | 3.6 | 2.8 |
| CC(1/2) | 0.997 | 0.743 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.2 M ammonium sulfate, 0.1 M MES pH 6.5, 30% (w/v) PEGMME 5K, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K |
