8X74

Crystal structure of ZmHSL1A complexed with mesotrione

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2023-06-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.06
Spacegroup name	P 1 21 1
Unit cell lengths	45.866, 53.452, 75.571
Unit cell angles	90.00, 104.80, 90.00

Refinement procedure

Resolution	34.230 - 1.791
R-factor	0.1821
Rwork	0.180
R-free	0.21740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.992
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.840
High resolution limit [Å]	1.790	1.790
Rmerge	0.041	0.415
Number of reflections	33389	2508
<I/σ(I)>	19.48
Completeness [%]	99.5
Redundancy	3.4
CC(1/2)	0.999	0.859

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	PEG 4000, MES