5D1R
Crystal structure of Mycobacterium tuberculosis Rv1816 transcriptional regulator.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-23 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.444, 86.533, 129.870 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.048 - 2.000 |
R-factor | 0.1798 |
Rwork | 0.177 |
R-free | 0.22160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB2OI8 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Rmerge | 0.064 | 0.040 | 0.413 |
Rmeas | 0.070 | 0.044 | 0.449 |
Rpim | 0.028 | 0.018 | 0.175 |
Total number of observations | 200570 | ||
Number of reflections | 31622 | ||
<I/σ(I)> | 12.9 | ||
Completeness [%] | 99.9 | 99.8 | 100 |
Redundancy | 6.3 | 5.9 | 6.5 |
CC(1/2) | 0.997 | 0.931 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | Ammonium Sulfate, sodium cacodylate, magnesium sulfate, |