6R2D
Crystal structure of the SucA domain of Mycobacterium smegmatis KGD after soaking with succinylphosphonate phosphonoethyl ester, followed by temperature increase
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 | 2012-05-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98011 |
| Spacegroup name | P 1 |
| Unit cell lengths | 80.840, 83.730, 160.570 |
| Unit cell angles | 99.52, 98.94, 100.81 |
Refinement procedure
| Resolution | 33.440 - 2.300 |
| R-factor | 0.219 |
| Rwork | 0.217 |
| R-free | 0.24200 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2yic |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| 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] | 80.570 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.056 | 0.465 |
| Rpim | 0.038 | 0.321 |
| Number of reflections | 172011 | 8537 |
| <I/σ(I)> | 10.2 | 2.1 |
| Completeness [%] | 97.2 | 97.2 |
| Redundancy | 2.9 | 2.9 |
| CC(1/2) | 0.997 | 0.804 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 58% MPD, 22.5 mM Na acetate |
