6OTW

Crystallographic Structure of (HbII-HbIII)-O2 from Lucina pectinata at pH 5.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.19499
Spacegroup name	P 42 21 2
Unit cell lengths	74.300, 74.300, 152.299
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.228 - 2.447
R-factor	0.1927
Rwork	0.190
R-free	0.24810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pt8
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.447	2.447
Number of reflections	16508	262087
<I/σ(I)>	26.7
Completeness [%]	97.5
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	5	293	sodium formate