3PT7

Structure of HbII-III-Oxy from Lucina pectinata at pH 5.0

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	2007-10-06
Detector	ADSC QUANTUM 210
Wavelength(s)	0.88560
Spacegroup name	P 42 21 2
Unit cell lengths	74.073, 74.073, 152.069
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.942 - 2.150
R-factor	0.192
Rwork	0.189
R-free	0.24510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2olp
RMSD bond length	0.018
RMSD bond angle	1.057
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.6.1_357)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.230
High resolution limit [Å]	2.150	4.610	2.150
Rmerge	0.070	0.048	0.367
Number of reflections	23741
<I/σ(I)>	14.6
Completeness [%]	99.4	95.6	100
Redundancy	10.7	9.6	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Capillary Counterdiffusion	5	293	Sodium Formate, pH 5.0, Capillary Counterdiffusion, temperature 293.0K