3TCG
Crystal structure of E. coli OppA complexed with the tripeptide KGE
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 1 21 1 |
| Unit cell lengths | 62.487, 201.308, 206.947 |
| Unit cell angles | 90.00, 95.57, 90.00 |
Refinement procedure
| Resolution | 48.890 - 2.000 |
| R-factor | 0.2015 |
| Rwork | 0.199 |
| R-free | 0.24460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.170 |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 5.950 | 2.120 |
| High resolution limit [Å] | 2.000 | 4.220 | 2.000 |
| Rmerge | 0.109 | 0.042 | 0.574 |
| Number of reflections | 341284 | 23327 | 53975 |
| <I/σ(I)> | 10.16 | 25.36 | 2.57 |
| Completeness [%] | 99.4 | 99.6 | 97.5 |
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 |
