3K3C
The N-terminal PAS domain crystal structure of Rv1364c from Mycobacterium tuberculosis at 1.62
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-08-11 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.808 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 209.069, 63.823, 61.305 |
| Unit cell angles | 90.00, 89.95, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.620 |
| R-factor | 0.183 |
| Rwork | 0.181 |
| R-free | 0.21233 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.437 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | Auto-Rickshaw |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.650 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.087 | 0.654 |
| Number of reflections | 101268 | |
| <I/σ(I)> | 9 | 2.77 |
| Completeness [%] | 98.6 | 95.3 |
| Redundancy | 5 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 292.16 | 1.4 M ammonium sulphate, 0.1 M Tris-HCl, 0.1 M sodium chloride, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292.16K |
