6PMF
Crystal Structure of EcDsbA in complex with aniline 15
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 | 2014-08-14 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.95370 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 117.720, 64.070, 74.730 |
| Unit cell angles | 90.00, 125.53, 90.00 |
Refinement procedure
| Resolution | 37.280 - 1.950 |
| R-factor | 0.1927 |
| Rwork | 0.191 |
| R-free | 0.22680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fvk |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.572 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3211) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.050 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.064 | 0.586 |
| Rmeas | 0.073 | 0.673 |
| Rpim | 0.036 | 0.329 |
| Number of reflections | 33087 | 4802 |
| <I/σ(I)> | 12.8 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4.1 | 2.2 |
| CC(1/2) | 0.998 | 0.884 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 293.15 | 11-13 % PEG 8000, 5-7.5% glycerol, 100mM Na Cacodylate pH6.1, 1mM CuCl2 |
