4QAT
1.75 A resolution structure of CT263-D161N (MTAN) from Chlamydia trachomatis bound to MTA
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 | 2013-10-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 65.879, 104.258, 58.216 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.624 - 1.750 |
R-factor | 0.1661 |
Rwork | 0.165 |
R-free | 0.19410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | apo-CT263 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.103 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 104.260 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.080 | |
Number of reflections | 15179 | |
<I/σ(I)> | 13.5 | 2 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 6.6 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 200 mM ammonium sulfate, 100 mM sodium acetate trihydrate (pH 4.6) and 30% (w/v) PEG 2K MME, vapor diffusion, sitting drop, temperature 298K |