1Y4R
T-To-T(High) quaternary transitions in human hemoglobin: betaF45A deoxy low-salt (1 test set)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | AREA DETECTOR |
| Collection date | 1996-08-05 |
| Detector | SDMS |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 97.300, 99.800, 65.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.220 |
| Rwork | 0.169 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y0t |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.024 |
| Data reduction software | SDMS |
| Data scaling software | SDMS |
| Phasing software | X-PLOR |
| Refinement software | PROLSQ |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.390 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rmerge | 0.091 | 0.254 |
| Number of reflections | 31475 | |
| <I/σ(I)> | 6.7 | 1.6 |
| Completeness [%] | 97.5 | 88.2 |
| Redundancy | 7.5 | 3.4 |
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 |
