9C85

Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with 2022-LS5

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-18
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.9792
Spacegroup name	P 64 2 2
Unit cell lengths	178.740, 178.740, 185.490
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.080 - 2.720
R-factor	0.1802
Rwork	0.179
R-free	0.20240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.327
Data reduction software	xia2 (v1.0)
Data scaling software	Aimless (0.7.7)
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.220	2.780
High resolution limit [Å]	2.720	2.720
Rmerge	0.099
Number of reflections	47414	2735
<I/σ(I)>	22.8
Completeness [%]	99.9	100
Redundancy	20.1
CC(1/2)	1.000	0.662

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	2-(N-cyclohexylamino)-ethanesulfonic acid (CHES), (NH4)2SO4 and potassium sodium tartrate