3IS2
2.3 Angstrom Crystal Structure of a Cys71 Sulfenic Acid form of Vivid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F3 |
| Synchrotron site | CHESS |
| Beamline | F3 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2007-06-20 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.28 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.420, 81.110, 58.030 |
| Unit cell angles | 90.00, 95.03, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.300 |
| R-factor | 0.254 |
| Rwork | 0.226 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.066 | 0.200 |
| Number of reflections | 14822 | |
| <I/σ(I)> | 24.3 | 6 |
| Completeness [%] | 98.8 | 98.3 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 20 mM imidazole, 26% PEG 4000, 100 mM trisodium citrate, 100 mM NaCl, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
