3LT3
Crystal structure of Rv3671c from M. tuberculosis H37Rv, Ser343Ala mutant, 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 | 2009-10-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.002 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.603, 44.207, 53.356 |
| Unit cell angles | 101.68, 97.56, 105.05 |
Refinement procedure
| Resolution | 40.000 - 2.100 |
| R-factor | 0.22909 |
| Rwork | 0.227 |
| R-free | 0.27628 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3k6z |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.926 |
| 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 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.064 | 0.215 |
| Number of reflections | 18853 | |
| <I/σ(I)> | 22.6 | 3.8 |
| Completeness [%] | 95.0 | 84.3 |
| Redundancy | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.1 M Tris-HCl, 2.1 M ammonium phosphate monobasic, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
