5E0Z
Crystal Structure of PASTA Domains 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 | 2010-12-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.116 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.466, 24.545, 64.874 |
| Unit cell angles | 90.00, 99.17, 90.00 |
Refinement procedure
| Resolution | 39.949 - 2.000 |
| R-factor | 0.1949 |
| Rwork | 0.191 |
| R-free | 0.23050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.772 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.2.4) |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.949 | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.077 | 0.027 | 0.479 |
| Total number of observations | 19484 | ||
| Number of reflections | 8592 | ||
| <I/σ(I)> | 10 | ||
| Completeness [%] | 97.5 | 99 | 93.8 |
| Redundancy | 2.3 | 2.2 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 0.1 M sodium acetate pH 4.5, 2M ammonium sulfate |
