1YEQ
T-To-T(High) quaternary transitions in human hemoglobin: betaW37Y 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 | 1996-10-02 |
Detector | SDMS |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 96.200, 99.600, 67.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.750 |
R-factor | 0.20428 |
Rwork | 0.196 |
R-free | 0.27434 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1y46 |
RMSD bond length | 0.027 |
RMSD bond angle | 1.341 |
Data reduction software | SDMS |
Data scaling software | SDMS |
Phasing software | X-PLOR |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.960 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.171 | 0.301 |
Number of reflections | 17171 | |
<I/σ(I)> | 5.5 | 1.5 |
Completeness [%] | 98.9 | 94.9 |
Redundancy | 5.3 | 3.9 |
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. |