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1ABY

CYANOMET RHB1.1 (RECOMBINANT HEMOGLOBIN)

Experimental procedure
Source typeROTATING ANODE
Source detailsRIGAKU RUH2R
Temperature [K]295
Detector technologyAREA DETECTOR
Collection date1995-05
DetectorSIEMENS
Spacegroup nameP 21 21 21
Unit cell lengths102.540, 115.170, 56.700
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution10.000 - 2.600
R-factor0.175
Rwork0.175
R-free0.27800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)BML-3260
RMSD bond length0.009
RMSD bond angle20.620

*

Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareAMoRE
Refinement softwareX-PLOR (3.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]115.0002.800
High resolution limit [Å]2.6002.600
Rmerge0.056
Total number of observations55634

*

Number of reflections19521
Completeness [%]68.829.2
Redundancy2.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

5pH 5.0
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein15 (mg/ml)
21dropPEG33506.5 (%)
31dropammonium acetate75 (mM)
41dropKCN0.25 (mM)
51reservoirPEG335013 (%)
61reservoirammonium acetate150 (mM)
71reservoirKCN10 (mM)

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