6BQX
Crystal structure of Escherichia coli DsbA in complex with N-methyl-1-(4-phenoxyphenyl)methanamine
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 | 2009-12-03 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.953732 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 117.150, 64.901, 75.416 |
| Unit cell angles | 90.00, 126.53, 90.00 |
Refinement procedure
| Resolution | 30.288 - 1.992 |
| R-factor | 0.1831 |
| Rwork | 0.176 |
| R-free | 0.24430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.853 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.020 |
| High resolution limit [Å] | 1.990 | 5.400 | 1.990 |
| Rmerge | 0.052 | 0.027 | 0.486 |
| Number of reflections | 30896 | 1512 | 1548 |
| <I/σ(I)> | 14.4 | ||
| Completeness [%] | 99.2 | 93.7 | 99 |
| Redundancy | 3.4 | 3.2 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.2 | 293 | 11-13% PEG 8000, 5-7.5% glycerol, 1 mM CuCl2, 100 mM sodium cacodylate |
