5E10
Crystal Structure of PASTA Domains 1 and 2 of Mycobacterium tuberculosis Protein Kinase B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.116 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 80.721, 43.163, 43.749 |
| Unit cell angles | 90.00, 106.28, 90.00 |
Refinement procedure
| Resolution | 41.995 - 1.801 |
| R-factor | 0.1712 |
| Rwork | 0.169 |
| R-free | 0.20730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.212 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.995 | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
| Rmerge | 0.090 | 0.044 | 0.571 |
| Total number of observations | 52681 | ||
| Number of reflections | 13502 | ||
| <I/σ(I)> | 7.3 | ||
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 3.9 | 3.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 0.1 M CHES pH 9.5, 30% isopropanol, 30% PEG 3350 |
