3E9J
Structure of the charge-transfer intermediate of the transmembrane redox catalyst DsbB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-08-26 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.920 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.305, 103.105, 125.826 |
| Unit cell angles | 90.00, 91.16, 90.00 |
Refinement procedure
| Resolution | 125.990 - 3.700 |
| R-factor | 0.33893 |
| Rwork | 0.337 |
| R-free | 0.37903 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hi7 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.418 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 125.000 | 3.900 |
| High resolution limit [Å] | 3.700 | 3.700 |
| Number of reflections | 18142 | |
| <I/σ(I)> | 9.9 | 2 |
| Completeness [%] | 98.0 | 99.1 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.9 | 277 | 23% PEG550 MME, 50 mM Tris pH 8.9, 1.0 M ammonium formate, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
