3QJO

Refined Structure of the functional unit (KLH1-H) of keyhole limpet hemocyanin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Detector technology	CCD
Collection date	2006-09-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97941
Spacegroup name	I 21 3
Unit cell lengths	251.020, 251.020, 251.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 4.000
R-factor	0.2731
Rwork	0.271
R-free	0.29330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1js8 2cbp
RMSD bond length	0.003
RMSD bond angle	0.855
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	4.200
High resolution limit [Å]	4.000	4.000
Rmerge	0.180	0.847
Number of reflections	22294
<I/σ(I)>		3.46
Completeness [%]	99.7	96.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	9% PEG 1000, 50mM phosphate/citrate buffer, pH 4.0, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K