5J0H

De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	H 3 2
Unit cell lengths	53.194, 53.194, 278.642
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.450 - 1.640
R-factor	0.1808
Rwork	0.178
R-free	0.20710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.600
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (dev_1616)

Data quality characteristics

	Overall
Low resolution limit [Å]	45.450
High resolution limit [Å]	1.640
Number of reflections	19278
<I/σ(I)>	10.5
Completeness [%]	100.0
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.06 M Citric acid, 0.04 M BIS-TRIS propane pH 4.1, 16% PEG 3,350