3K6Y
Crystal structure of Rv3671c protease from M. tuberculosis, active form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-11-15 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.99986 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 64.678, 64.678, 98.655 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.300 |
R-factor | 0.16628 |
Rwork | 0.165 |
R-free | 0.19928 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1l1j |
RMSD bond length | 0.010 |
RMSD bond angle | 1.454 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.350 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.067 | 0.620 |
Number of reflections | 59291 | |
<I/σ(I)> | 3.2 | |
Completeness [%] | 99.5 | 100 |
Redundancy | 10.1 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.25 | 293 | Reservoir: 0.05 M sodium acetate pH 5.25, 1.96 M sodium formate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |