8DHD

Neutron crystal structure of maltotetraose bound tmMBP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	293
Detector technology	PIXEL
Collection date	2020-01-01
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	35.915, 56.340, 90.001
Unit cell angles	90.00, 94.25, 90.00

Refinement procedure

Resolution	35.816 - 2.106
R-factor	0.2461
Rwork	0.245
R-free	0.27240
Data reduction software	CrysalisPro
Data scaling software	LAUENORM
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	89.750	2.210	1.760
High resolution limit [Å]	1.700	2.100	1.700
Rmerge	0.124	0.300	0.378
Rmeas	0.120	0.347	0.400
Rpim	0.020	0.168	0.090
Number of reflections	39602	1628	3961
<I/σ(I)>	51.66		9.85
Completeness [%]	100.0		99.9
Redundancy	19.9
CC(1/2)	0.990	0.960	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	25 % (wt./vol.) PEG 3350, 0.2 M sodium acetate, 0.1 M BisTris pH 5.5
1	VAPOR DIFFUSION, SITTING DROP		293	25 % (wt./vol.) PEG 3350, 0.2 M sodium acetate, 0.1 M BisTris pH 5.5