9K99

Crystal structure of Setaria viridis SPS complexed with Aclonifen (surface polar residue mutant)

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	2023-12-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978610
Spacegroup name	P 1
Unit cell lengths	66.377, 69.096, 80.578
Unit cell angles	104.95, 112.43, 92.10

Refinement procedure

Resolution	42.547 - 2.655
R-factor	0.245
Rwork	0.242
R-free	0.29670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.527
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]	42.547	2.750
High resolution limit [Å]	2.655	2.655
Number of reflections	35831	3519
<I/σ(I)>	10.45
Completeness [%]	98.1
Redundancy	10.182
CC(1/2)	0.998	0.873

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	PEG3000, Sodium cacodylate, Magnesium chloride