3MJU

Crystal structure determination of pigeon (columba livia) haemoglobin at 3.5 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	293
Detector technology	IMAGE PLATE
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 42 21 2
Unit cell lengths	82.061, 82.061, 106.095
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.990 - 3.500
R-factor	0.24327
Rwork	0.236
R-free	0.31199
Structure solution method	PHASER
Starting model (for MR)	1a4f
RMSD bond length	0.011
RMSD bond angle	1.415
Data reduction software	AUTOMAR
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.630
High resolution limit [Å]	3.500	3.500
Number of reflections	4263
<I/σ(I)>	1.8	0.7
Completeness [%]	96.2	99.2
Redundancy	6.01	6.14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	VAPOR DIFFUSION, HANGING DROP, temperature 293K