3NL7

Human Hemoglobin A mutant beta H63W 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	2008-12-17
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	53.210, 53.210, 191.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.115 - 1.800
R-factor	0.1897
Rwork	0.186
R-free	0.23320
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2dn3
RMSD bond length	0.028
RMSD bond angle	1.281
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	CNS
Refinement software	PHENIX ((phenix.refine: 1.6.1_357))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.270	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.074	0.260
Number of reflections	25409
<I/σ(I)>	8.8
Completeness [%]	95.5
Redundancy	3.74	3.46

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SMALL TUBES	6.7	293	Protein Solution (20mg/ml protein in 0.01 M phosphate pH 7.0) mixed with mother liquor (3.4 M Na/K phosphate, pH6.7) for final concentrations of 2.3 M Na/K phosphate, SMALL TUBES, temperature 293K