1YVQ
The low salt (PEG) crystal structure of CO Hemoglobin E (betaE26K) approaching physiological pH (pH 7.5)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 289 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-12-20 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.621, 96.018, 101.368 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.380 - 1.800 |
| R-factor | 0.187 |
| Rwork | 0.187 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nqp |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.500 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.044 | 0.198 |
| Number of reflections | 47533 | |
| <I/σ(I)> | 34.1 | 3.5 |
| Completeness [%] | 85.2 | 84.3 |
| Redundancy | 3.1 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | 0.1M HEPES, pH 7.5; 10% isopropanol, 20% PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
