7PQ7
Crystal structure of Campylobacter jejuni DsbA1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 11.2C |
Synchrotron site | ELETTRA |
Beamline | 11.2C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9789 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 120.876, 51.726, 75.541 |
Unit cell angles | 90.00, 125.14, 90.00 |
Refinement procedure
Resolution | 42.650 - 1.550 |
R-factor | 0.1777 |
Rwork | 0.177 |
R-free | 0.20020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3l9u |
RMSD bond length | 0.019 |
RMSD bond angle | 1.613 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX (MRage) |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.830 | 1.640 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmeas | 0.043 | 0.816 |
Number of reflections | 55179 | 8791 |
<I/σ(I)> | 16.31 | 1.53 |
Completeness [%] | 98.6 | 97.4 |
Redundancy | 3.52 | 3.51 |
CC(1/2) | 0.999 | 0.772 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | in Morpheus 2-33 conditions (0.08 M Carboxylic acids 0.1 M Buffer System 3 8.5 50 % v/v Precipitant Mix 1) |