3ORO
Mycobacterium tuberculosis PknB kinase domain L33D mutant (crystal form 4)
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 | 2003-06-01 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.107 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.598, 51.423, 135.327 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.460 - 1.900 |
R-factor | 0.19474 |
Rwork | 0.193 |
R-free | 0.22758 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mru |
RMSD bond length | 0.008 |
RMSD bond angle | 1.518 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | EPMR |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.055 | 0.213 |
Number of reflections | 21540 | |
<I/σ(I)> | 13.5 | 5.2 |
Completeness [%] | 98.6 | 94.8 |
Redundancy | 3.3 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 1M Sodium Citrate, 100mM CHES pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |