5LAU
Oceanobacillus iheyensis macrodomain mutant G37V 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 | 2014-06-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 109.646, 109.646, 109.646 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.350 |
| R-factor | 0.15566 |
| Rwork | 0.154 |
| R-free | 0.18206 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1spv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.687 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.390 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.404 | |
| Number of reflections | 47986 | |
| <I/σ(I)> | 22.2 | 6.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.2 | 12 |
| CC(1/2) | 0.950 |
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 and 30% (w/v) PEGMME 5K |
