4L7Y
Deoxygenated Hb in complex with the allosteric effectors, IRL2500 and 2,3-DPG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-11-14 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 95.750, 98.230, 65.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.490 - 1.800 |
| R-factor | 0.203 |
| Rwork | 0.203 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hhb |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.500 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.039 | 0.172 |
| Number of reflections | 53413 | |
| <I/σ(I)> | 30.3 | 8.4 |
| Completeness [%] | 92.4 | 87.7 |
| Redundancy | 6.6 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 6.6 | 297 | 0.2M sodium acetate trihydrate, 0.1M sodium cacodylate trihydrate,30% PEG8000, pH 6.6, LIQUID DIFFUSION, temperature 297K |
