2W3H
Cyanide bound structure of the first GAF domain of Mycobacterium tuberculosis DosS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 4A |
| Synchrotron site | PAL/PLS |
| Beamline | 4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.595, 84.364, 100.537 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.640 - 1.800 |
| R-factor | 0.21696 |
| Rwork | 0.215 |
| R-free | 0.26021 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.324 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 40.000 |
| High resolution limit [Å] | 1.800 |
| Rmerge | 0.060 |
| Number of reflections | 29219 |
| <I/σ(I)> | 33.1 |
| Completeness [%] | 98.3 |
| Redundancy | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 20% PEG4000 AND 0.2 M CALCIUM CHLORIDE IN TRIS-HCL, PH 7.0 |
