1NXF
Ligand-linked transitions of deoxyHbI crystals exposed to CO.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 296 |
Detector technology | IMAGE PLATE |
Collection date | 2002-07-01 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 92.040, 44.280, 144.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.900 - 1.850 |
R-factor | 0.189 |
Rwork | 0.189 |
R-free | 0.21000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4sdh |
RMSD bond length | 0.006 |
RMSD bond angle | 1.000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.084 | 0.321 |
Number of reflections | 24623 | |
<I/σ(I)> | 12 | |
Completeness [%] | 95.2 | 87.8 |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SMALL TUBES | 8.5 | 296 | Sodium and Postasium phosphate, pH 8.5, SMALL TUBES, temperature 296K |