8EQQ
Crystal structure of E.coli DsbA mutant E37A
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 | 2020-10-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.95370 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.840, 81.067, 105.247 |
Unit cell angles | 90.00, 93.64, 90.00 |
Refinement procedure
Resolution | 49.100 - 2.130 |
R-factor | 0.1865 |
Rwork | 0.184 |
R-free | 0.23080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fvk |
Data reduction software | iMOSFLM |
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] | 49.100 | 49.100 | 2.050 |
High resolution limit [Å] | 2.010 | 9.630 | 2.010 |
Rmerge | 0.097 | 0.029 | 1.433 |
Rmeas | 0.112 | 0.034 | 1.665 |
Rpim | 0.056 | 0.017 | 0.837 |
Total number of observations | 266008 | 2455 | 15685 |
Number of reflections | 68997 | 662 | 4157 |
<I/σ(I)> | 8.5 | 31.3 | 0.9 |
Completeness [%] | 99.4 | 98.4 | 93.1 |
Redundancy | 3.9 | 3.7 | 3.8 |
CC(1/2) | 0.997 | 0.998 | 0.387 |
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 |