1Y5K
T-To-T(High) quaternary transitions in human hemoglobin: betaD99A deoxy low-salt (10 test sets)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-05-05 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 97.460, 99.880, 66.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.200 |
| R-factor | 0.16783 |
| Rwork | 0.161 |
| R-free | 0.22655 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y0w |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.056 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | X-PLOR |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.069 | 0.222 |
| Number of reflections | 26819 | |
| <I/σ(I)> | 9.2 | 3.1 |
| Completeness [%] | 80.3 | 35.1 |
| Redundancy | 5.4 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | batch | 7 | 298 | 10% PEG 6000, 10 mM potassium phosphate, 100 mM potassium chloride, 3 mM sodium dithionite, 10 mg/ml Hb, pH 7.0, batch, temperature 298K |
