13UV

Orf9b homodimer in complex with fragment ZINC000017744334

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	35.886, 64.540, 73.641
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.540 - 1.880
R-factor	0.3001
Rwork	0.297
R-free	0.33820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.764
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]	48.540	1.930
High resolution limit [Å]	1.880	1.880
Rmerge	0.097	0.805
Rmeas	0.106	0.878
Rpim	0.042	0.347
Total number of observations	90087	5496
Number of reflections	14447	893
<I/σ(I)>	10.8	2
Completeness [%]	99.9
Redundancy	6.2	6.2
CC(1/2)	0.999	0.846

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