4MQC

Carbonmonoxy Structure of 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	53.172, 53.172, 192.984
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.900 - 2.200
R-factor	0.2142
Rwork	0.210
R-free	0.24990
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.023
RMSD bond angle	1.184
Data reduction software	d*TREK (9.9.9.4 W9RSSI)
Data scaling software	d*TREK
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.900	36.900	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.121	0.079	0.455
Number of reflections	14858
<I/σ(I)>	8.5	19.6	4.5
Completeness [%]	99.7	97.8	99.9
Redundancy	11.05	5.9	13.24

Crystallization Conditions

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