4X3F
Crystal structure of the intracellular domain of the M. tuberculosis Ser/Thr kinase PknA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-09 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.933 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.310, 150.180, 96.540 |
| Unit cell angles | 90.00, 96.98, 90.00 |
Refinement procedure
| Resolution | 43.560 - 2.900 |
| R-factor | 0.22033 |
| Rwork | 0.219 |
| R-free | 0.24302 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o6y |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.289 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.600 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.107 | 1.197 |
| Number of reflections | 31961 | |
| <I/σ(I)> | 8.3 | 1.1 |
| Completeness [%] | 99.6 | 99.1 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 4.3 M NaCl, 0.1 M Hepes-Na pH 8.0 |
