5J0K

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	2015-07-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	48.720, 51.270, 65.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.630 - 1.540
R-factor	0.2005
Rwork	0.199
R-free	0.21850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.617
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (dev_1839)

Data quality characteristics

	Overall
Low resolution limit [Å]	27.630
High resolution limit [Å]	1.540
Number of reflections	24855
<I/σ(I)>	33.3
Completeness [%]	99.6
Redundancy	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Lithium chloride, 20% PEG 3,350