3ZHT
Crystal structure of the SucA domain of Mycobacterium smegmatis KGD, first post-decarboxylation intermediate from 2-oxoadipate
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 | 80.366, 83.800, 159.513 |
Unit cell angles | 99.76, 99.06, 100.61 |
Refinement procedure
Resolution | 41.110 - 2.150 |
R-factor | 0.2241 |
Rwork | 0.223 |
R-free | 0.24570 |
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] | 41.820 | 2.270 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.060 | 0.420 |
Number of reflections | 209671 | |
<I/σ(I)> | 9.8 | 2.3 |
Completeness [%] | 97.5 | 96.5 |
Redundancy | 2.6 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 59% MPD, 22.5 MM NA ACETATE PH 7.0 |