1YUZ
Partially Reduced State of Nigerythrin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 118 |
| Detector technology | CCD |
| Collection date | 2003-07-24 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.666, 72.315, 119.020 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.600 - 1.400 |
| R-factor | 0.192 |
| Rwork | 0.192 |
| R-free | 0.20800 |
| Structure solution method | MAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.600 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 79858 | |
| Completeness [%] | 99.7 | 96 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 7.3 | 298 | 0.2 M CaCl2 20% PEG 3350, pH 7.3, LIQUID DIFFUSION, temperature 298K |
