13UF

Orf9b homodimer in complex with fragment ZINC000000158156

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	35.801, 65.097, 73.539
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.550 - 1.590
R-factor	0.2054
Rwork	0.203
R-free	0.23640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.282
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]	48.740	1.620
High resolution limit [Å]	1.590	1.590
Rmerge	0.050	1.091
Rmeas	0.055	1.328
Rpim	0.022	0.736
Total number of observations	126446	1004
Number of reflections	20191	371
<I/σ(I)>	17.8	0.8
Completeness [%]	85.5
Redundancy	6.3	2.7
CC(1/2)	0.999	0.410

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