3ZHV
Crystal structure of the SucA domain of Mycobacterium smegmatis KGD, post-decarboxylation intermediate from pyruvate (2-hydroxyethyl-ThDP)
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 | 2012-04-05 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 |
Unit cell lengths | 80.464, 83.702, 160.333 |
Unit cell angles | 99.68, 98.87, 100.63 |
Refinement procedure
Resolution | 41.060 - 2.300 |
R-factor | 0.205 |
Rwork | 0.203 |
R-free | 0.23540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yic |
RMSD bond length | 0.010 |
RMSD bond angle | 1.010 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.860 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.080 | 0.490 |
Number of reflections | 172580 | |
<I/σ(I)> | 8 | 1.9 |
Completeness [%] | 97.6 | 97.3 |
Redundancy | 2.4 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 59% MPD, 22.5 MM NA ACETATE PH 7.0 |