5J0J

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 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	50.010, 34.386, 61.542
Unit cell angles	90.00, 92.40, 90.00

Refinement procedure

Resolution	49.966 - 2.256
R-factor	0.2318
Rwork	0.227
R-free	0.27510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.799
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (dev_1616)

Data quality characteristics

	Overall
Low resolution limit [Å]	49.970
High resolution limit [Å]	2.256
Number of reflections	9728
<I/σ(I)>	20
Completeness [%]	96.3
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Sodium Fluoride, 0.1 M MES pH 5.5 , 20 % PEG 400