3ZHQ
Crystal structure of the H747A mutant of the SucA domain of Mycobacterium smegmatis KGD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-02-26 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 |
Unit cell lengths | 80.675, 83.737, 159.577 |
Unit cell angles | 99.86, 98.95, 100.44 |
Refinement procedure
Resolution | 48.970 - 2.500 |
R-factor | 0.1952 |
Rwork | 0.194 |
R-free | 0.22340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yic |
RMSD bond length | 0.010 |
RMSD bond angle | 1.050 |
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] | 48.970 | 2.630 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.110 | 0.560 |
Number of reflections | 133094 | |
<I/σ(I)> | 9.1 | 2.3 |
Completeness [%] | 96.6 | 94.4 |
Redundancy | 3.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.6 | 52% MPD, 20 MM NA ACETATE, pH 7.6 |