3VE3
Structure of IT Intermediate from time-resolved laue crystallography
Experimental procedure
| Experimental method | LAUE |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID09 |
| Synchrotron site | ESRF |
| Beamline | ID09 |
| Temperature [K] | 288 |
| Detector technology | CCD |
| Collection date | 2005-10-15 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 0.77-1.24 |
| 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 |
| R-free | 0.29100 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.023 |
| Data reduction software | LaueView |
| Data scaling software | LaueView |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 28.900 |
| High resolution limit [Å] | 1.600 |
| Number of reflections | 13891 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 2.6M AMMONIUM SULFATE, 50MM SODIUM PHOSPHATE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
