5J0I

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	2014-09-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 63 2 2
Unit cell lengths	44.158, 44.158, 153.326
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.330 - 2.202
R-factor	0.2279
Rwork	0.225
R-free	0.25470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.025
RMSD bond angle	1.988
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (dev_1616)

Data quality characteristics

	Overall
Low resolution limit [Å]	38.330
High resolution limit [Å]	2.200
Number of reflections	4361
<I/σ(I)>	14.32
Completeness [%]	86.7
Redundancy	18.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.2 M Sodium Malonate pH 5.0