13US

Orf9b homodimer in complex with fragment ZINC000001683100

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-21
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.116
Spacegroup name	P 21 21 21
Unit cell lengths	35.699, 64.946, 73.538
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.680 - 1.500
R-factor	0.2122
Rwork	0.210
R-free	0.24020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.232
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.680	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.035	1.500
Rmeas	0.038	1.728
Rpim	0.015	0.837
Total number of observations	167666	4193
Number of reflections	27540	1119
<I/σ(I)>	21.1	0.8
Completeness [%]	98.5
Redundancy	6.1	3.7
CC(1/2)	1.000	0.364

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	10% PEG3350, 10% PEG1000, 10% MPD, 0.15M Ethylene Glycol, 0.1M MES pH 6.5, 0.1M Imidazole pH 6.5