9BUV

Crystal structure of Cry1Fa R226Q

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-01
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	64.230, 68.350, 121.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.905 - 2.024
Rwork	0.154
R-free	0.19710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.553
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.220	2.130
High resolution limit [Å]	2.020	2.020
Rmerge	0.126	0.192
Number of reflections	36045	5186
<I/σ(I)>	15.3
Completeness [%]	100.0
Redundancy	11.8
CC(1/2)	0.993	0.983

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	10% PEG6000, 5% MPD, 0.1 M HEPES, pH 7.5, 4% Benzamidine HCl