4ZIJ
Crystal structure of E.Coli DsbA in complex with 2-(4-iodophenylsulfonamido) benzoic acid
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 | 2013-08-03 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.95370 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 123.965, 46.982, 62.288 |
| Unit cell angles | 90.00, 96.20, 90.00 |
Refinement procedure
| Resolution | 41.497 - 1.780 |
| R-factor | 0.1758 |
| Rwork | 0.173 |
| R-free | 0.21710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fvk |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.879 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.250 | 1.880 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.055 | 0.190 |
| Number of reflections | 34294 | |
| <I/σ(I)> | 15.8 | 5.3 |
| Completeness [%] | 99.6 | 97.7 |
| Redundancy | 4 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 100-200 mM KBr, 22-27% PEG 2000 MME |
