1YEO
T-To-T(High) quaternary transitions in human hemoglobin: betaW37A OXY (10 test sets)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | AREA DETECTOR |
Collection date | 1995-12-10 |
Detector | SDMS |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 95.890, 98.920, 66.830 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.220 |
R-factor | 0.18466 |
Rwork | 0.180 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1y4f |
RMSD bond length | 0.026 |
RMSD bond angle | 1.467 |
Data reduction software | SDMS |
Data scaling software | SDMS |
Phasing software | X-PLOR |
Refinement software | REFMAC (5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.390 |
High resolution limit [Å] | 2.220 | 2.220 |
Rmerge | 0.076 | 0.222 |
Number of reflections | 31225 | |
<I/σ(I)> | 9.3 | 2.1 |
Completeness [%] | 97.3 | 87.1 |
Redundancy | 7.6 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 10% PEG 6000, 10 MM POTASSIUM PHOSPHATE, 100 MM POTASSIUM CHLORIDE, 3 MM SODIUM DITHIONITE, 10 MG/ML DEOXYHB, PH 7.0, BATCH, TEMPERATURE 298K, 1 ATM N2. EXPOSING DEOXY CRYSTAL TO LIGAND: A DEOXY CRYSTAL WAS SOAKED (UNDER 1 ATM NITROGEN) IN SUBSTITUTE MOTHER LIQUOR CONTAINING 13% PEG 6000, 10 MM POTASSIUM PHOSPHATE (PH 7.0), 100 MM POTASSIUM CHLORIDE. THE CRYSTAL WAS THEN EXPOSED TO AIR AT 298K AND DATA WAS COLLECTED AT 298K. |