2Y0P
Crystal structure of the SucA domain of Mycobacterium smegmatis alpha- ketoglutarate decarboxylase in complex with the enamine-ThDP intermediate and acetyl-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2010-11-20 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 81.062, 81.953, 161.876 |
| Unit cell angles | 99.26, 97.09, 100.58 |
Refinement procedure
| Resolution | 35.140 - 2.400 |
| R-factor | 0.198 |
| Rwork | 0.197 |
| R-free | 0.22020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2XT7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.9.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.400 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.100 | 0.560 |
| Number of reflections | 149496 | |
| <I/σ(I)> | 7.4 | 1.9 |
| Completeness [%] | 95.8 | 95.6 |
| Redundancy | 2.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.6 | 52% MPD, 20 MM SODIUM ACETATE, 5% 1-3-PROPANEDIOL, pH 7.6 |
