3QJB

Human Hemoglobin A Mutant Alpha H58L Carbonmonoxy-Form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-03-30
Detector	RIGAKU RAXIS IV++
Spacegroup name	P 41 21 2
Unit cell lengths	53.600, 53.600, 191.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.178 - 1.800
R-factor	0.1729
Rwork	0.170
R-free	0.20480
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2dn3
RMSD bond length	0.027
RMSD bond angle	0.989
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	99.000	99.000	1.860
High resolution limit [Å]	1.800	3.880	1.800
Number of reflections	26524
<I/σ(I)>	32.1		12.5
Completeness [%]	98.1	96.8	96.9
Redundancy	4.1		4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SMALL TUBES	6.7	293	2.3 M Na/K phosphate, pH 6.7, SMALL TUBES, temperature 293K