3ZHT
Crystal structure of the SucA domain of Mycobacterium smegmatis KGD, first post-decarboxylation intermediate from 2-oxoadipate
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 | 2012-04-05 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 |
| Unit cell lengths | 80.366, 83.800, 159.513 |
| Unit cell angles | 99.76, 99.06, 100.61 |
Refinement procedure
| Resolution | 41.110 - 2.150 |
| R-factor | 0.2241 |
| Rwork | 0.223 |
| R-free | 0.24570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yic |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.820 | 2.270 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.060 | 0.420 |
| Number of reflections | 209671 | |
| <I/σ(I)> | 9.8 | 2.3 |
| Completeness [%] | 97.5 | 96.5 |
| Redundancy | 2.6 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 59% MPD, 22.5 MM NA ACETATE PH 7.0 |
