6WBJ

High resolution crystal structure of mRECK(CC4) in fusion with engineered MBP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-20
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92
Spacegroup name	P 21 21 2
Unit cell lengths	80.404, 110.221, 57.816
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.816 - 1.651
R-factor	0.157
Rwork	0.156
R-free	0.17740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3set
Data reduction software	DIALS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.850	64.850	1.690
High resolution limit [Å]	1.650	7.380	1.650
Rmerge	0.230	0.101	0.221
Rmeas	0.235	0.103	2.272
Rpim	0.049	0.022	0.528
Total number of observations	1420849	18123	80275
Number of reflections	62274	809	4507
<I/σ(I)>	7.9	12.2	1.9
Completeness [%]	100.0	100	99.5
Redundancy	22.8	22.4	17.8
CC(1/2)	0.996	0.997	0.630

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.6	293	0.2 M ammonium sulfate, 0.1 M sodium acetate, pH 4.6, 25% PEG 4000