3S66

Structures and oxygen affinities of crystalline human hemoglobin C (beta6 Lys) in the R quaternary structures

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-08
Detector	ADSC QUANTUM 210
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	53.097, 53.097, 191.526
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.773 - 1.401
R-factor	0.2097
Rwork	0.208
R-free	0.23310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m9p
RMSD bond length	0.007
RMSD bond angle	1.079
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.034	0.213
Number of reflections	54017
<I/σ(I)>	18
Completeness [%]	97.9	91.8
Redundancy	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.2	293	1.65M phosphate buffer (0.528M NaH2PO4, 1.122M K2HPO4, pH 7.2), 10% (v/v) glycerol, 0.1% (w/v) D,L-homocysteine, Batch, temperature 293K