1RWL
Extracellular domain of Mycobacterium tuberculosis PknD
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 | 2003-07-27 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0719 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.940, 94.580, 71.770 |
Unit cell angles | 90.00, 98.10, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.900 |
R-factor | 0.216 |
Rwork | 0.214 |
R-free | 0.26200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rwi |
RMSD bond length | 0.017 |
RMSD bond angle | 1.634 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | EPMR |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.069 | 0.514 |
Number of reflections | 17505 | |
<I/σ(I)> | 8.5 | 2.8 |
Completeness [%] | 99.1 | 98.9 |
Redundancy | 3.5 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | sodium acetate, HEPES, cadmium sulfate, p-chloromercurybenzene sulfonic acid, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |