6D2S
Mycobacterium tuberculosis transcriptional regulator
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-10-14 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.979 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 74.999, 81.724, 95.365 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.095 - 1.819 |
R-factor | 0.1781 |
Rwork | 0.176 |
R-free | 0.20900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6cz6 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX (1.13rc1_2954) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.850 |
High resolution limit [Å] | 1.820 | 4.940 | 1.820 |
Rmerge | 0.043 | 0.030 | 0.241 |
Rmeas | 0.045 | 0.033 | 0.260 |
Rpim | 0.015 | 0.011 | 0.095 |
Total number of observations | 252505 | ||
Number of reflections | 26651 | 1431 | 1274 |
<I/σ(I)> | 20.5 | ||
Completeness [%] | 99.8 | 99 | 97.7 |
Redundancy | 9.5 | 8.6 | 7.3 |
CC(1/2) | 0.999 | 0.966 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 290 | CaCl2, HEPES pH 7.5, PEG 3,350 |