3PI4

Crystallographic Structure of HbII-oxy from Lucina pectinata at pH 4.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM16
Synchrotron site	ESRF
Beamline	BM16
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-03
Detector	ADSC QUANTUM 4r
Wavelength(s)	0.90750
Spacegroup name	P 42 21 2
Unit cell lengths	72.237, 72.237, 146.288
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.170
R-factor	0.19978
Rwork	0.196
R-free	0.28708
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.563
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	3.170
Rmerge	0.145
Number of reflections	6617
<I/σ(I)>	8.6
Completeness [%]	97.1
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Capillary Counterdiffusion	4	293	Sodium Formate, pH 4.0, Capillary Counterdiffusion, temperature 293.0K