6R2A
Crystal structure of the SucA domain of Mycobacterium smegmatis KGD cocrystallized with succinylphosphonate phosphonoethyl ester (PESP)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9393 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.480, 108.020, 120.530 |
| Unit cell angles | 90.00, 103.55, 90.00 |
Refinement procedure
| Resolution | 40.370 - 1.700 |
| R-factor | 0.152 |
| Rwork | 0.151 |
| R-free | 0.16800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yid |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.930 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.370 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.065 | 0.458 |
| Rpim | 0.042 | 0.327 |
| Number of reflections | 232526 | 32854 |
| <I/σ(I)> | 11.8 | 2.4 |
| Completeness [%] | 98.6 | 95.7 |
| Redundancy | 3.3 | |
| CC(1/2) | 0.996 | 0.792 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 291 | 2% 2-methyl-2-propanol, 47% MPD |
