3K6Z
Crystal structure of Rv3671c protease, inactive 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 | 2009-06-24 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.12719 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 119.074, 43.693, 71.468 |
Unit cell angles | 90.00, 104.76, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.750 |
R-factor | 0.19024 |
Rwork | 0.188 |
R-free | 0.23903 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3k6y |
RMSD bond length | 0.009 |
RMSD bond angle | 1.184 |
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 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.056 | 0.315 |
Number of reflections | 32887 | |
<I/σ(I)> | 3.4 | |
Completeness [%] | 96.5 | 69.9 |
Redundancy | 6.9 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | Reservoir: 0.1 M Tris-HCl pH 8.5, 2.1 M ammonium phosphate monobasic, 60 mM ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |