3UHI
HBI (K96R) 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 | 2000-07-20 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.630, 43.950, 87.520 |
| Unit cell angles | 90.00, 115.25, 90.00 |
Refinement procedure
| Resolution | 30.270 - 2.500 |
| R-factor | 0.204 |
| Rwork | 0.204 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sdh |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.900 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.093 | 0.241 |
| Number of reflections | 18004 | |
| <I/σ(I)> | 9.5 | 3.6 |
| Completeness [%] | 88.8 | 80.3 |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.5 | 296 | 2.1-2.3 M phosphate buffer, pH 7.5, MICROBATCH, temperature 296K |
