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. * |