6U0E

Neutron crystal structure of T4L M6AE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2017-08-01
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	60.800, 60.800, 97.070
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.505 - 1.889
R-factor	0.2184
Rwork	0.217
R-free	0.25400
Data reduction software	Mantid
Data scaling software	LaueView
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	2.180	1.956
High resolution limit [Å]	2.100	2.100	1.900
Rmerge	0.068	0.457	0.257
Rmeas			0.309
Rpim			0.166
Number of reflections	11921	1164	1201
<I/σ(I)>	8.9	2	2.62
Completeness [%]	95.4
Redundancy	2
CC(1/2)			0.138

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	~2.0 M Na/K phosphate, pH 6-7, 250 mM NaCl
1	VAPOR DIFFUSION, SITTING DROP		298	~2.0 M Na/K phosphate, pH 6-7, 250 mM NaCl