6WVF
E.coli DsbB C104S with ubiquinone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-08-03 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 53.381, 53.381, 280.740 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.230 - 2.900 |
| R-factor | 0.26 |
| Rwork | 0.259 |
| R-free | 0.28620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b3p |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.501 |
| Data reduction software | HKL-2000 |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.230 | 46.230 | 2.810 |
| High resolution limit [Å] | 2.680 | 8.880 | 2.680 |
| Rmerge | 0.185 | 0.028 | 7.897 |
| Rmeas | 0.203 | 0.031 | 8.684 |
| Rpim | 0.082 | 0.014 | 3.507 |
| Total number of observations | 79211 | 1923 | 8949 |
| Number of reflections | 13571 | 438 | 1604 |
| <I/σ(I)> | 9.1 | 44.8 | 0.3 |
| Completeness [%] | 97.6 | 97.4 | 88.5 |
| Redundancy | 5.8 | 4.4 | 5.6 |
| CC(1/2) | 0.998 | 0.999 | 0.262 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 295 | 34% PEG 400, 60 mM NaCl, 0.1 M HEPES pH 7.5 |
