6DXN
1.95 Angstrom Resolution Crystal Structure of DsbA Disulfide Interchange Protein from Klebsiella pneumoniae.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-04-11 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.401, 42.392, 103.949 |
| Unit cell angles | 90.27, 89.78, 96.00 |
Refinement procedure
| Resolution | 27.010 - 1.950 |
| R-factor | 0.18213 |
| Rwork | 0.180 |
| R-free | 0.22982 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ocf |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.133 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.135 | 0.786 |
| Rmeas | 0.154 | 0.897 |
| Rpim | 0.073 | 0.430 |
| Number of reflections | 51946 | 2517 |
| <I/σ(I)> | 16.8 | 2.7 |
| Completeness [%] | 97.8 | 96.3 |
| Redundancy | 4.4 | 4.3 |
| CC(1/2) | 0.726 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | Protein: 9.6mg/ml, 0.01M Tris-HCl pH 8.3; Screen: PEGs II (B9), 0.1M Tris-HCl pH 8.5, 30% (v/v) PEG 400. |
