3UGY
HBI (F80Y) CO bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-07-31 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.230, 43.920, 83.420 |
| Unit cell angles | 90.00, 121.98, 90.00 |
Refinement procedure
| Resolution | 30.170 - 2.100 |
| R-factor | 0.183 |
| Rwork | 0.183 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sdh |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.900 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.082 | 0.228 |
| Number of reflections | 15512 | |
| <I/σ(I)> | 13.4 | 4.8 |
| Completeness [%] | 91.4 | 94.7 |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SMALL TUBES | 7.5 | 298 | sodium/potassium phosphate, pH 7.5, SMALL TUBES, temperature 298K |
