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 |