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 |