4MLK
3.05A resolution structure of CT584 from Chlamydia trachomatis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-01-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 112.236, 112.236, 82.072 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.400 - 3.051 |
| R-factor | 0.2267 |
| Rwork | 0.225 |
| R-free | 0.25290 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.074 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER (2.3.0) |
| Refinement software | PHENIX (1.7.2_869) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 62.708 | 62.708 | 3.210 |
| High resolution limit [Å] | 3.051 | 9.640 | 3.050 |
| Rmerge | 0.032 | 0.713 | |
| Total number of observations | 1238 | 5812 | |
| Number of reflections | 3900 | ||
| <I/σ(I)> | 20.3 | 18 | 1.1 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 10 | 8.7 | 10.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 293 | 30% (w/v) PEG 8000, 0.05M sodium cacodylate 0.2M ammonium acetate, 0.01M magnesium acetate, pH 8.5, VAPOR DIFFUSION, temperature 293K |
