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 |