4BUC
CRYSTAL STRUCTURE OF MURD LIGASE FROM THERMOTOGA MARITIMA IN APO FORM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-11-29 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.168, 135.845, 67.265 |
| Unit cell angles | 90.00, 98.17, 90.00 |
Refinement procedure
| Resolution | 19.780 - 2.170 |
| R-factor | 0.16494 |
| Rwork | 0.163 |
| R-free | 0.19681 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.799 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | autoSHARP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.800 | 2.300 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.080 | 0.440 |
| Number of reflections | 52327 | |
| <I/σ(I)> | 11 | 3 |
| Completeness [%] | 98.8 | 95.4 |
| Redundancy | 6.8 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | AMMONIUM PHOSPHATE 2.0 M, pH 7.4 |
