4MQH

Structure of Aquomet Hemoglobin Evans alphaV62Mbetawt

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS
Wavelength(s)	1.5412
Spacegroup name	P 41 21 2
Unit cell lengths	52.926, 52.926, 194.139
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.771 - 2.500
R-factor	0.1979
Rwork	0.192
R-free	0.24990
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.182
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.041	0.027	0.533
Number of reflections	10243
<I/σ(I)>	15
Completeness [%]	98.9	94.9	94.5
Redundancy	22.4	19.8	21.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	6.7	298	Protein crystallized from 2.2M Sodium/Potassium Phosphate, pH 6.7, Batch method, temperature 298K, LIQUID DIFFUSION