13UQ

Orf9b homodimer in complex with fragment ZINC000001689349

This is a non-PDB format compatible entry.

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	35.882, 64.522, 73.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.490 - 2.000
R-factor	0.2564
Rwork	0.254
R-free	0.28810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.438
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]	48.490	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.083	1.906
Rmeas	0.090	2.086
Rpim	0.035	0.832
Total number of observations	75127	4671
Number of reflections	11788	788
<I/σ(I)>	12.7	0.9
Completeness [%]	98.2
Redundancy	6.4	5.9
CC(1/2)	0.999	0.246

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