6HU5

STRUCTURE OF HEWL BY ELECTRON DIFFRACTION AND MICROFOCUS DIFFRACTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LaB6 THERMOIONIC SOURCE
Temperature [K]	100
Detector technology	OTHER
Collection date	2018-10-01
Detector	ASI
Spacegroup name	P 1 21 1
Unit cell lengths	31.849, 54.380, 71.788
Unit cell angles	90.00, 98.82, 90.00

Refinement procedure

Resolution	42.670 - 2.800
R-factor	0.2995
Rwork	0.297
R-free	0.33900
RMSD bond length	0.004
RMSD bond angle	0.776
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	XDS
Refinement software	PHENIX ((1.13_2998))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.670	2.970
High resolution limit [Å]	2.800	2.800
Rmerge	0.655	0.839
Number of reflections	3906
<I/σ(I)>	1.6	0.8
Completeness [%]	66.5	67.1
Redundancy	2.8	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				1.5 M SODIUM CHLORIDE