8DQP

Crystal structure of Arabidopsis thaliana COSY in complex with scopoletin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-26
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	58.459, 58.349, 273.281
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.320 - 2.480
R-factor	0.1781
Rwork	0.173
R-free	0.28080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8dqo
RMSD bond length	0.024
RMSD bond angle	2.368
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	136.090	2.569
High resolution limit [Å]	2.480	2.480
Rmerge		0.732
Rmeas		1.036
Rpim		0.732
Number of reflections	33466	3278
<I/σ(I)>	10.64	0.89
Completeness [%]	97.5	96.88
Redundancy	1.9	2
CC(1/2)	0.999	0.474

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298.15	50 mM calcium acetate, 0.1M sodium cacodylate pH 6.5, 20% glycerol, 500 uM scopoletin, 5 mg/mL protein