6XT4

C3_HD-1069 (1BH-69) - fusion protein of helical bundle and repeat protein

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	2018-03-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9993
Spacegroup name	H 3
Unit cell lengths	107.313, 107.313, 56.066
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.006 - 2.400
R-factor	0.2273
Rwork	0.225
R-free	0.27190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Computational design model
Data reduction software	DIALS (1.2.2-g62d8f5d-release)
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.14)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.010	48.010	2.300
High resolution limit [Å]	2.240	10.020	2.240
Rmerge	0.151	0.111	0.865
Rmeas	0.167	0.122	0.973
Rpim	0.071	0.051	0.442
Total number of observations	64175	746	4182
Number of reflections	11562	129	814
<I/σ(I)>	5.3	13.2	1.8
Completeness [%]	100.0	99	100
Redundancy	5.6	5.8	5.1
CC(1/2)	0.993	0.988	0.862

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	293.15	JCSG+ condition D3 (0.2 M sodium chloride, 0.1 M sodium/potassium phosphate, pH 6.2, 50% v/v PEG200), no additional cryoprotection added