5QOD
Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_6)
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 | 117.152, 62.918, 74.295 |
| Unit cell angles | 90.00, 126.58, 90.00 |
Refinement procedure
| Resolution | 37.106 - 1.908 |
| R-factor | 0.2085 |
| Rwork | 0.207 |
| R-free | 0.24980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.132 |
| 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] | 47.990 | 47.990 | 1.950 |
| High resolution limit [Å] | 1.910 | 8.940 | 1.910 |
| Rmerge | 0.092 | 0.043 | 0.744 |
| Rmeas | 0.105 | 0.051 | 0.861 |
| Rpim | 0.051 | 0.026 | 0.427 |
| Total number of observations | 138831 | 1221 | 7365 |
| Number of reflections | 33590 | 345 | 1966 |
| <I/σ(I)> | 10.8 | 27 | 1.8 |
| Completeness [%] | 99.0 | 96 | 86.6 |
| Redundancy | 4.1 | 3.5 | 3.7 |
| CC(1/2) | 0.997 | 0.995 | 0.710 |
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 |
