5E0Y
Crystal Structure of PASTA Domain 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 | 2009-10-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.2824 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 41.658, 41.658, 122.517 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.608 - 2.001 |
| R-factor | 0.2201 |
| Rwork | 0.215 |
| R-free | 0.26390 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.908 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.097 | 0.080 | 0.362 |
| Total number of observations | 67586 | ||
| Number of reflections | 4409 | ||
| <I/σ(I)> | 21.4 | ||
| Completeness [%] | 92.4 | 99.7 | 44.3 |
| Redundancy | 15.3 | 16.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 0.2 M zinc acetate, 0.1 M imidazole pH 8, and 20% PEG 3000 |
