1NWI
Crystal structure of CO-HbI transformed to an unligated state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-01-29 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.810, 44.210, 87.120 |
| Unit cell angles | 90.00, 115.38, 90.00 |
Refinement procedure
| Resolution | 40.000 * - 2.500 |
| R-factor | 0.194 |
| Rwork | 0.194 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sdh |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.150 * |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.077 | 0.239 |
| Total number of observations | 75147 * | |
| Number of reflections | 19646 | |
| <I/σ(I)> | 11.5 | |
| Completeness [%] | 95.3 | 85.5 * |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 7.5 | 296 | Summerford, C.M., (1995) Protein Eng., 8, 593., Royer, W.E.,Jr. (1994) J. Mol. Biol., 235, 657. * |
