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1YGD

T-To-T(High) quaternary transitions in human hemoglobin: betaW37E alpha zinc beta oxy (10 TEST SETS)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]298
Detector technologyAREA DETECTOR
Collection date1997-12-23
DetectorSDMS
Wavelength(s)1.5418
Spacegroup nameP 21 21 2
Unit cell lengths96.300, 99.100, 66.800
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution10.000 - 2.730
R-factor0.19752
Rwork0.190
R-free0.26603
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1y4p
RMSD bond length0.019
RMSD bond angle1.378
Data reduction softwareSDMS
Data scaling softwareSDMS
Phasing softwareX-PLOR
Refinement softwareREFMAC (5.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.940
High resolution limit [Å]2.7302.730
Rmerge0.1340.301
Number of reflections17254
<I/σ(I)>51.5
Completeness [%]97.990.5
Redundancy5.74.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
110% 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.

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