9JR6

Complex structure of OsSPS3 with Aclonifen

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978520
Spacegroup name	P 21 21 21
Unit cell lengths	55.872, 90.726, 121.261
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.062 - 1.894
R-factor	0.2048
Rwork	0.203
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.865
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.16_3549: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.062	1.962
High resolution limit [Å]	1.894	1.894
Number of reflections	49818	4911
<I/σ(I)>	2.18
Completeness [%]	99.9
Redundancy	10.143
CC(1/2)	0.999	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	PEG3350, Bis-Tris, Ammonium sulfate