3QJC

Human Hemoglobin A Mutant Beta H63L 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	2009-03-09
Detector	RIGAKU RAXIS IV++
Spacegroup name	P 41 21 2
Unit cell lengths	53.300, 53.300, 192.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.371 - 2.001
R-factor	0.1992
Rwork	0.194
R-free	0.25020
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2dn3
RMSD bond length	0.028
RMSD bond angle	0.994
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	51.371	51.340	2.070
High resolution limit [Å]	2.000	4.310	2.000
Number of reflections	18799
<I/σ(I)>	7.7		4.3
Completeness [%]	95.4	84.2	97.4
Redundancy	4		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