4ZRA
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS LPRG BINDING TO TRIACYLGLYCERIDE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 193 |
Detector technology | CCD |
Collection date | 2014-03-23 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.987 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 95.677, 71.593, 61.894 |
Unit cell angles | 90.00, 106.55, 90.00 |
Refinement procedure
Resolution | 30.670 - 1.830 |
R-factor | 0.2052 |
Rwork | 0.204 |
R-free | 0.23440 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.914 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
High resolution limit [Å] | 1.830 | 4.970 | 1.830 |
Rmerge | 0.118 | 0.074 | 0.785 |
Rmeas | 0.125 | 0.081 | 0.836 |
Rpim | 0.042 | 0.030 | 0.282 |
Total number of observations | 330774 | ||
Number of reflections | 35238 | ||
<I/σ(I)> | 7.4 | ||
Completeness [%] | 99.9 | 99.6 | 99.4 |
Redundancy | 9.4 | 7.4 | 8.6 |
CC(1/2) | 0.995 | 0.804 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | sodium acetate buffer, PEG3350 |