2W1M
THE INTERDEPENDENCE OF WAVELENGTH, REDUNDANCY AND DOSE IN SULFUR SAD EXPERIMENTS: 2.070 A WAVELENGTH with 2theta 30 degrees data
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX10.1 |
| Synchrotron site | SRS |
| Beamline | PX10.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-06 |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.243, 78.243, 36.978 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.300 - 1.780 |
| R-factor | 0.1828 |
| Rwork | 0.180 |
| R-free | 0.23774 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.621 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 1.780 |
| High resolution limit [Å] | 1.780 |
| Rmerge | 0.070 |
| Number of reflections | 11476 |
| <I/σ(I)> | 49.4 |
| Completeness [%] | 100.0 |
| Redundancy | 25 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.2 | PLEASE SEE REFERENCE PAPER., pH 4.2 |
