4APA
Crystal structure of Mycobacterium tuberculosis fumarase (Rv1098c) S318A in apo form
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 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 268.270, 97.142, 96.436 |
Unit cell angles | 90.00, 104.54, 90.00 |
Refinement procedure
Resolution | 43.410 - 2.040 |
R-factor | 0.1661 |
Rwork | 0.165 |
R-free | 0.17910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4adl |
RMSD bond length | 0.010 |
RMSD bond angle | 0.970 |
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] | 43.410 | 2.160 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmerge | 0.080 | 0.480 |
Number of reflections | 148043 | |
<I/σ(I)> | 13.1 | 2.3 |
Completeness [%] | 97.9 | 86.8 |
Redundancy | 4.2 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 20% PEG 8000, 0.2 M CACL2, 0.1 M TRIS-HCL PH 8.0 |