6NSI
Crystal structure of Fe(III)-bound YtgA from Chlamydia trachomatis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-10 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.954 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 47.841, 61.072, 105.500 |
| Unit cell angles | 90.00, 96.94, 90.00 |
Refinement procedure
| Resolution | 19.077 - 2.000 |
| R-factor | 0.181851425707 |
| Rwork | 0.180 |
| R-free | 0.22520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1psz |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.942 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.080 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.090 | 0.990 |
| Rpim | 0.040 | 0.390 |
| Number of reflections | 20476 | 2001 |
| <I/σ(I)> | 16.51 | 2.03 |
| Completeness [%] | 100.0 | 98.9 |
| Redundancy | 7.3 | 7.2 |
| CC(1/2) | 0.990 | 0.734 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 22 % (w/v) polyethylene glycol (PEG) 6000, 0.2 M CaCl2, 0.01 M FeCl3 and 0.1 M MES, pH 6.0 |
