13UJ

Orf9b homodimer in complex with fragment ZINC000006661362

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	35.786, 64.760, 73.506
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.750 - 1.390
R-factor	0.211
Rwork	0.209
R-free	0.23030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.244
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]	48.590	1.420
High resolution limit [Å]	1.390	1.390
Rmerge	0.036	2.364
Rmeas	0.039	2.589
Rpim	0.016	1.041
Total number of observations	220320	9947
Number of reflections	34971	1670
<I/σ(I)>	19.3	0.7
Completeness [%]	99.9
Redundancy	6.3	6
CC(1/2)	1.000	0.371

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