4I38
Structures of IT intermediates from time-resolved laue crystallography collected at 14ID-B, APS
Experimental procedure
| Experimental method | LAUE |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-ID-B |
| Synchrotron site | APS |
| Beamline | 14-ID-B |
| Temperature [K] | 288 |
| Detector technology | CCD |
| Collection date | 2008-11-17 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.96-1.30 |
| Spacegroup name | P 63 |
| Unit cell lengths | 66.833, 66.833, 40.947 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.600 |
| R-factor | 0.239 |
| Rwork | 0.237 |
| R-free | 0.28500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2phy |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.022 |
| Data reduction software | LaueView |
| Data scaling software | LaueView |
| Refinement software | SHELX |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 28.900 |
| High resolution limit [Å] | 1.600 |
| Number of reflections | 14623 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 7 | 298 | 2.6M AMMONIUM SULFATE, 50MM SODIUM PHOSPHATE, pH 7.0, hanging drop, temperature 298K |
