13TL

Orf9b homodimer in complex with fragment ZINC000020213524

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	35.808, 64.963, 73.524
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.480 - 1.510
R-factor	0.1999
Rwork	0.198
R-free	0.22760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.316
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]	48.680	1.540
High resolution limit [Å]	1.510	1.510
Rmerge	0.046	0.900
Rmeas	0.050	1.165
Rpim	0.021	0.728
Total number of observations	144646	1639
Number of reflections	26731	904
<I/σ(I)>	17.3	0.6
Completeness [%]	97.2
Redundancy	5.4	1.8
CC(1/2)	0.999	0.527

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