8TZU

OC43 S1b domain in complex with WNb 293 and WNb 317

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2023-03-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	98.914, 150.610, 155.111
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.460 - 2.900
R-factor	0.229
Rwork	0.227
R-free	0.26590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.539
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.460	3.060
High resolution limit [Å]	2.900	2.900
Number of reflections	52029	7476
<I/σ(I)>	11.9	1.4
Completeness [%]	100.0
Redundancy	6.9
CC(1/2)	0.995	0.601

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	23% PEG 1500, 0.1 M MMT pH 4.0