3KYW
Xray crystal structure determination of H-labeled perdeuterated rubredoxin at 295K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 295 |
| Detector technology | CCD |
| Collection date | 2008-03-09 |
| Detector | MAR225 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.238, 35.096, 43.858 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.990 - 1.100 |
| R-factor | 0.153 |
| Rwork | 0.152 |
| R-free | 0.16500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1brf |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.508 |
| Data scaling software | ELVES |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 27.400 |
| High resolution limit [Å] | 1.100 |
| Number of reflections | 21725 |
| <I/σ(I)> | 8.9 |
| Completeness [%] | 98.8 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 3.8 M sodium/potassium phosphate, hanging drop |
