9Y0Q
Crystal structure of Escherichia coli DsbA C33A mutant in complex with a peptide derived from LptD - Binding mode II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-08-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 31.136, 57.158, 96.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.640 - 1.470 |
| R-factor | 0.1876 |
| Rwork | 0.186 |
| R-free | 0.21270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.706 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.460 | 1.500 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 0.110 | 0.822 |
| Rmeas | 0.120 | 0.897 |
| Rpim | 0.046 | 0.353 |
| Total number of observations | 207502 | 9011 |
| Number of reflections | 29292 | 1327 |
| <I/σ(I)> | 10.5 | 3 |
| Completeness [%] | 97.1 | |
| Redundancy | 7.1 | 6.8 |
| CC(1/2) | 0.994 | 0.561 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Magnesium nitrate hexahydrate, 20% w/v Polyethylene glycol 3,350 |
