5E29
Crystal Structure of Deoxygenated Hemoglobin in Complex with an Allosteric Effector and Nitric Oxide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | Cu FINE FOCUS |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-04-22 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 95.878, 98.419, 65.444 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.540 - 1.850 |
R-factor | 0.205 |
Rwork | 0.198 |
R-free | 0.25300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dn2 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.400 |
Data reduction software | d*TREK |
Data scaling software | d*TREK (9.2SSI) |
Phasing software | PHENIX |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.540 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.084 | 0.313 |
Number of reflections | 52628 | |
<I/σ(I)> | 12.3 | 4.5 |
Completeness [%] | 98.2 | 94.3 |
Redundancy | 5.53 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 6.5 | 295 | 0.2 M sodium acetate trihydrate, 0.1 M sodium cacodylate trihydrate, pH 6.5, 30% w/v PEG8000, anaerobic conditions |