6VHB

1.4A low-dose structure of GSNQNNF determined from initial phases generated using radiation damage

Experimental procedure

Spacegroup name	P 1
Unit cell lengths	4.880, 14.170, 17.620
Unit cell angles	83.60, 84.98, 83.31

Refinement procedure

Resolution	14.000 - 1.400
Rwork	0.222
R-free	0.28900
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	SHELX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]			1.510
High resolution limit [Å]	1.400	3.700	1.400
Rmerge	0.208	0.195	0.262
Rmeas	0.219	0.205	0.278
Total number of observations	6026
Number of reflections	713	38	153
<I/σ(I)>	8.5	11.36	6.61
Completeness [%]	77.2	76	78.5
Redundancy	8.452	9.158	8.549
CC(1/2)	0.973	0.964	0.940