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 |
