7JH5

Co-LOCKR: de novo designed protein switch

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)	0.9999
Spacegroup name	P 1 21 1
Unit cell lengths	61.841, 52.914, 75.591
Unit cell angles	90.00, 102.64, 90.00

Refinement procedure

Resolution	42.381 - 2.103
R-factor	0.2597
Rwork	0.257
R-free	0.28800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Computational design model
Data reduction software	HKL-2000 (714n)
Data scaling software	HKL-2000 (714n)
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX (dev 3026)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.160
High resolution limit [Å]	2.120	2.120
Rmerge	0.081	0.701
Rmeas	0.200	1.347
Rpim	0.094	0.645
Number of reflections	27665	1382
<I/σ(I)>	7.32	0.85
Completeness [%]	99.9	99.9
Redundancy	4.5	4.3
CC(1/2)		0.704

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293.15	JCSG core I B7 (0.2M di-Sodium tartrate, 20% (w/v) PEG 3350)