8U5G

Crystal structure of the co-expressed SDS22:PP1:I3 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	F 4 3 2
Unit cell lengths	334.795, 334.795, 334.795
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.460 - 3.200
R-factor	0.2112
Rwork	0.209
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.939
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.1_4122: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.590	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.072	1.254
Rmeas	0.074	1.315
Rpim	0.019	0.358
Total number of observations	1407248	69627
Number of reflections	27016	4425
<I/σ(I)>	21.9	1.7
Completeness [%]	98.7
Redundancy	16.4	15.7
CC(1/2)	0.968	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	289	1.8 M sodium phosphate monobasic monohydrate, potassium phosphate dibasic pH 8.2