5E12
Crystal Structure of PASTA Domains 2, 3 and 4 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 | 2011-02-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.116 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 101.297, 24.524, 73.370 |
| Unit cell angles | 90.00, 89.35, 90.00 |
Refinement procedure
| Resolution | 41.902 - 2.208 |
| R-factor | 0.2068 |
| Rwork | 0.202 |
| R-free | 0.24890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.703 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.902 | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
| Rmerge | 0.138 | 0.045 | 0.655 |
| Total number of observations | 74634 | ||
| Number of reflections | 18775 | ||
| <I/σ(I)> | 7.8 | ||
| Completeness [%] | 99.9 | 100 | 100 |
| Redundancy | 4 | 3.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 0.1 M citrate pH 3.5, 25% PEG 3350 |
