7Z0U

Crystal structure of AtWRKY18 DNA-binding domain in complex with W-box DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9762
Spacegroup name	I 41 2 2
Unit cell lengths	112.788, 112.788, 101.664
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.880 - 2.850
R-factor	0.2533
Rwork	0.251
R-free	0.29950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7z0r
RMSD bond length	0.006
RMSD bond angle	0.836
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.880	3.030
High resolution limit [Å]	2.850	2.850
Rmerge	0.136	2.242
Rmeas	0.139
Number of reflections	7918	1246
<I/σ(I)>	21.03	1.4
Completeness [%]	97.6	69.1
Redundancy	23.9	25.7
CC(1/2)	0.999	0.691

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	0.03 M sodium nitrate, 0.03 M sodium phosphate, 0.03 M ammonium sulfate, 0.1 M buffer system 1 (Imidazole; MES monohydrate (acid) ) pH 6.5, 20% v/v PEG 500* MME and 10 % w/v PEG 20000