8TMX

Crystal structure of engineered Castilleja foliolosa KAI2d15 variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-25
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.000
Spacegroup name	P 21 2 21
Unit cell lengths	59.576, 69.537, 156.563
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.540 - 1.900
R-factor	0.2078
Rwork	0.205
R-free	0.25550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.895
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.540	1.864
High resolution limit [Å]	1.800	1.800
Rmerge	0.072	0.415
Rmeas	0.075	0.446
Rpim	0.021	0.160
Number of reflections	61107	6013
<I/σ(I)>	16.23	0.76
Completeness [%]	100.0	99.97
Redundancy	12.1	7.1
CC(1/2)	0.999	0.931

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.9 M diammonium phosphate, 0.1 M sodium acetate at pH 4.5, and 0.01 M barium chloride