13UN

Orf9b homodimer in complex with fragment ZINC000002582714

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	35.650, 64.751, 73.587
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.790 - 1.420
R-factor	0.2211
Rwork	0.219
R-free	0.24280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.284
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]	48.610	1.450
High resolution limit [Å]	1.420	1.420
Rmerge	0.062	0.871
Rmeas	0.068	1.106
Rpim	0.027	0.666
Total number of observations	176435	1402
Number of reflections	30717	819
<I/σ(I)>	14.3	0.9
Completeness [%]	93.8
Redundancy	5.7	1.7
CC(1/2)	0.998	0.508

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