3S65

Structures and oxygen affinities of crystalline human hemoglobin C (beta6 Lys) in the R2 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	2010-11-26
Detector	ADSC QUANTUM 210
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	57.784, 58.748, 172.869
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.396 - 1.800
R-factor	0.2531
Rwork	0.250
R-free	0.30460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m9p
RMSD bond length	0.011
RMSD bond angle	1.486
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	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.046	0.601
Number of reflections	47832
<I/σ(I)>	24.6
Completeness [%]	86.4	63
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.6	293	11% (w/v) polyethylene glycol 3350, 50mM HEPES buffer, 10% (v/v) glycerol, pH 7.6, Batch, temperature 293K