8EQR
Crystal structure of E.coli DsbA mutant E24A
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 | 2020-10-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.95370 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.830, 108.658, 118.441 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.140 - 2.290 |
R-factor | 0.219 |
Rwork | 0.217 |
R-free | 0.25880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fvk |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.340 |
High resolution limit [Å] | 2.290 | 6.240 | 2.300 |
Rmerge | 0.189 | 0.076 | 0.608 |
Rmeas | 0.207 | 0.083 | 0.669 |
Rpim | 0.082 | 0.033 | 0.270 |
Number of reflections | 46940 | 2558 | 2239 |
<I/σ(I)> | 3.8 | ||
Completeness [%] | 98.7 | 99.4 | 95.7 |
Redundancy | 6.5 | 6.6 | 5.6 |
CC(1/2) | 0.996 | 0.571 |
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 |