3ZHS
Crystal structure of the SucA domain of Mycobacterium smegmatis KGD, first post-decarboxylation intermediate from alpha-ketoglutarate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-12-10 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 80.846, 83.713, 159.940 |
| Unit cell angles | 99.89, 99.03, 100.20 |
Refinement procedure
| Resolution | 30.750 - 2.100 |
| R-factor | 0.2018 |
| Rwork | 0.200 |
| R-free | 0.22830 |
| 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] | 48.680 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.090 | 0.370 |
| Number of reflections | 220133 | |
| <I/σ(I)> | 5.8 | 2 |
| Completeness [%] | 94.5 | 95.1 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.6 | 54% MPD, 22 MM NA ACETATE, pH 7.6 |
