8EQP
Crystal structure of E.coli DsbA mutant E24A/E37A/K58A
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 | 2022-10-04 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.95370 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.262, 80.217, 105.734 |
Unit cell angles | 90.00, 93.55, 90.00 |
Refinement procedure
Resolution | 61.140 - 2.300 |
R-factor | 0.1989 |
Rwork | 0.196 |
R-free | 0.25340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fvk |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 105.530 | 105.530 | 2.160 |
High resolution limit [Å] | 2.100 | 9.140 | 2.100 |
Rmerge | 0.122 | 0.070 | 0.696 |
Rmeas | 0.143 | 0.082 | 0.822 |
Rpim | 0.074 | 0.042 | 0.431 |
Total number of observations | 219355 | 2847 | 15915 |
Number of reflections | 59879 | 773 | 4517 |
<I/σ(I)> | 6.3 | 15 | 1.7 |
Completeness [%] | 99.8 | 99.7 | 97.4 |
Redundancy | 3.7 | 3.7 | 3.5 |
CC(1/2) | 0.989 | 0.959 | 0.750 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 15-20% PEG8000, 0.1M phosphate-citrate, pH 3.8-4.4, 0.2M NaCl |