6R2B
Crystal structure of the SucA domain of Mycobacterium smegmatis KGD after soaking with succinylphosphonate
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 | 2012-03-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97895 |
| Spacegroup name | P 1 |
| Unit cell lengths | 82.120, 82.760, 162.970 |
| Unit cell angles | 98.55, 97.52, 102.18 |
Refinement procedure
| Resolution | 158.870 - 1.960 |
| R-factor | 0.229 |
| Rwork | 0.228 |
| R-free | 0.24500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2yid |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.980 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 158.880 | 2.000 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.076 | 0.503 |
| Rpim | 0.052 | 0.344 |
| Number of reflections | 284499 | 14077 |
| <I/σ(I)> | 8.6 | 2.1 |
| Completeness [%] | 97.1 | 96.6 |
| Redundancy | 2.9 | 3 |
| CC(1/2) | 0.995 | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 60% MPD, 22.5 mM Na acetate |
