4YUC
Crystal Structure of CorB derivatized with S-(2-acetamidoethyl) 4-methyl-3-oxohexanethioate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-01-27 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 0.91840 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 62.850, 105.669, 104.918 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.030 - 1.310 |
| R-factor | 0.17495 |
| Rwork | 0.175 |
| R-free | 0.18746 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.163 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0027) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.390 |
| High resolution limit [Å] | 1.310 | 1.310 |
| Number of reflections | 84188 | |
| <I/σ(I)> | 16.9 | |
| Completeness [%] | 99.7 | 98.3 |
| Redundancy | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M sodium cacodylate (pH 6.5), 8% (w/v) PEG8000 and 34% (v/v) MPD |
