13UM

Orf9b homodimer in complex with fragment ZINC000001389101

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	35.703, 65.053, 73.528
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.530 - 1.790
R-factor	0.2083
Rwork	0.205
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.268
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]	48.720	1.830
High resolution limit [Å]	1.790	1.790
Rmerge	0.064	0.690
Rmeas	0.075	0.884
Rpim	0.038	0.542
Total number of observations	44111	808
Number of reflections	14439	497
<I/σ(I)>	9.5	0.8
Completeness [%]	87.3
Redundancy	3.1	1.6
CC(1/2)	0.996	0.620

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