7N9L

KirBac3.1 C71S C262S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 4 21 2
Unit cell lengths	106.884, 106.884, 89.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.800 - 2.400
R-factor	0.2293
Rwork	0.228
R-free	0.25780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xl4
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.800	2.540
High resolution limit [Å]	2.400	2.400
Rmeas	0.245	2.534
Number of reflections	20993	3316
<I/σ(I)>	8.6	0.52
Completeness [%]	99.8	99.3
Redundancy	13.16	11.84
CC(1/2)	0.998	0.404

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	90 mM HEPES pH 7.5, 2.5 w/v % PEG 8K, 2.5% w/v PEG 4K, 20.9% w/w PEG 400, 10% v/v glycerol.