6DLC

Designed protein DHD1:234_A, Designed protein DHD1:234_B

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	2017-12-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.999954
Spacegroup name	P 64
Unit cell lengths	96.885, 96.885, 27.846
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.440 - 3.261
R-factor	0.2614
Rwork	0.258
R-free	0.28550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Computational Design Model
RMSD bond length	0.003
RMSD bond angle	0.638
Data reduction software	XDS (June 17, 2015)
Data scaling software	XDS (June 17, 2015)
Phasing software	PHASER (2.5.6.)
Refinement software	PHENIX (dev_3112)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.440	3.520
High resolution limit [Å]	3.260	3.260
Rmerge	0.125	1.343
Rmeas	0.135	1.440
Rpim	0.049	0.708
Number of reflections	2485	512
<I/σ(I)>	9.7	1.7
Completeness [%]	99.8	99.6
Redundancy	7.6	7.8
CC(1/2)	0.999	0.472

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	290.15	0.15M Potassium bromide, 30% (w/v) PEG 2,000 MME, plus 20% glycerol as cryoprotectant