9DBU

Apo Structure of Computationally Designed Homotetramer PW1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-08-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.991840
Spacegroup name	I 4
Unit cell lengths	65.840, 65.840, 37.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.920 - 1.700
R-factor	0.2095
Rwork	0.206
R-free	0.23930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.753
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.920	1.761
High resolution limit [Å]	1.700	1.700
Rmerge	0.058	1.423
Rmeas	0.061	1.480
Rpim	0.017	0.403
Number of reflections	17583	2863
<I/σ(I)>	22.42	1.82
Completeness [%]	99.9	99.89
Redundancy	13.1	13.2
CC(1/2)	0.999	0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	21% PEG 1500, 200 mM (NH4)2SO4, 100 mM Bis-Tris (pH 6.5)