3ORL
Mycobacterium tuberculosis PknB kinase domain L33D mutant (crystal form 3)
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 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.8927 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.191, 50.633, 132.762 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.900 |
R-factor | 0.21379 |
Rwork | 0.211 |
R-free | 0.27658 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mru |
RMSD bond length | 0.011 |
RMSD bond angle | 1.000 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 3.060 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.087 | 0.406 |
Number of reflections | 6052 | |
<I/σ(I)> | 11.1 | 3.1 |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 3.7 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 25% PEG 3350, 100mM Tris pH 8.5, 200mM ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 277K |