4QL6
Structure of C. trachomatis CT441
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-10 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 86.730, 183.990, 209.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.441 - 2.970 |
| R-factor | 0.2571 |
| Rwork | 0.256 |
| R-free | 0.28140 |
| Structure solution method | SAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.849 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.441 | 3.110 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.069 | 0.069 |
| Number of reflections | 65713 | |
| <I/σ(I)> | 11.5 | 11.5 |
| Completeness [%] | 92.3 | 92.3 |
| Redundancy | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.1M 2-(N-morpholino)ethanesulfonic acid, 0.1M manganese sulfate, 5%(v/v) PEG 6000, 6%(v/v) ethylene glycol, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
