6R2C
Crystal structure of the SucA domain of Mycobacterium smegmatis KGD after soaking with succinylphosphonate phosphonoethyl ester (PESP)
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 | 81.390, 83.960, 160.680 |
| Unit cell angles | 99.54, 98.78, 100.89 |
Refinement procedure
| Resolution | 21.070 - 2.090 |
| R-factor | 0.233 |
| Rwork | 0.232 |
| R-free | 0.24600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2yic |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.940 |
| 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] | 78.480 | 2.120 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.070 | 0.565 |
| Rpim | 0.048 | 0.399 |
| Number of reflections | 233909 | 11533 |
| <I/σ(I)> | 10 | 2.2 |
| Completeness [%] | 97.4 | 96.4 |
| Redundancy | 2.9 | 2.8 |
| CC(1/2) | 0.997 | 0.830 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 60% MPD, 22.5 mM Na acetate |
