5QOF
Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_8)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-06-26 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.95370 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 117.545, 62.636, 74.509 |
Unit cell angles | 90.00, 126.53, 90.00 |
Refinement procedure
Resolution | 34.169 - 1.637 |
R-factor | 0.2249 |
Rwork | 0.225 |
R-free | 0.24470 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.348 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.920 | 47.920 | 1.670 |
High resolution limit [Å] | 1.640 | 8.810 | 1.640 |
Rmerge | 0.066 | 0.019 | 0.702 |
Rmeas | 0.076 | 0.023 | 0.812 |
Rpim | 0.037 | 0.012 | 0.404 |
Total number of observations | 217110 | 1266 | 10527 |
Number of reflections | 53110 | 364 | 2687 |
<I/σ(I)> | 17.1 | 59.7 | 2 |
Completeness [%] | 98.9 | 98.1 | 97 |
Redundancy | 4.1 | 3.5 | 3.9 |
CC(1/2) | 0.999 | 0.999 | 0.655 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 293 | 11-13% PEG 8000 5-7.5% GLYCEROL 1 MM CUCL2 100 MM SODIUM CACODYLATE |