3TCH
Crystal structure of E. coli OppA in an open conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-26 |
| Wavelength(s) | 0.972 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.409, 82.275, 125.935 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.390 - 1.980 |
| R-factor | 0.1803 |
| Rwork | 0.178 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.229 |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.2.3) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 5.880 | 2.100 |
| High resolution limit [Å] | 1.980 | 4.180 | 1.980 |
| Rmerge | 0.074 | 0.046 | 0.350 |
| Number of reflections | 41615 | 2953 | 6212 |
| <I/σ(I)> | 14.38 | 28.04 | 4.23 |
| Completeness [%] | 98.5 | 99.4 | 92.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | PEG 8000, glycerol, pH 6.0, vapor diffusion, hanging drop, temperature 293K |
