4MPO
1.90 A resolution structure of CT771 from Chlamydia trachomatis Bound to Hydrolyzed Ap4A Products
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 | 2013-07-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 182.528, 102.813, 65.363 |
| Unit cell angles | 90.00, 94.03, 90.00 |
Refinement procedure
| Resolution | 39.627 - 1.900 |
| R-factor | 0.2059 |
| Rwork | 0.203 |
| R-free | 0.25010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ilq |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.874 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.1.29) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.3_1479) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 91.038 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.040 | 0.617 |
| Number of reflections | 93781 | |
| <I/σ(I)> | 15.7 | 2.1 |
| Completeness [%] | 99.0 | 99.6 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.2 M magnesium chloride, 0.1 M Tris-HCl, pH 8.5, 25% w/v PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
