7LSM
Crystal structure of E.coli DsbA in complex with bile salt taurocholate
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 | 2017-09-22 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.95366 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.800, 50.110, 66.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.203 - 1.786 |
| R-factor | 0.1659 |
| Rwork | 0.164 |
| R-free | 0.20720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fvk |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.219 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.300 | 38.300 | 1.820 |
| High resolution limit [Å] | 1.786 | 9.110 | 1.790 |
| Rmerge | 0.126 | 0.105 | 0.257 |
| Rmeas | 0.130 | 0.111 | 0.267 |
| Rpim | 0.035 | 0.033 | 0.073 |
| Total number of observations | 1468 | 11467 | |
| Number of reflections | 15471 | 152 | 864 |
| <I/σ(I)> | 16.2 | 18.6 | 8.5 |
| Completeness [%] | 100.0 | 98.8 | 100 |
| Redundancy | 13.9 | 9.7 | 13.3 |
| CC(1/2) | 0.996 | 0.998 | 0.979 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 11-13% PEG8000, 5-7.5% glycerol, 1 mM copper(II) chloride, 100 mM sodium cacodylate |
