9B99

Crystal structure of Grindelia robusta 7,13-copalyl diphosphate synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-17
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.99999
Spacegroup name	P 1 21 1
Unit cell lengths	56.070, 79.110, 88.440
Unit cell angles	90.00, 97.59, 90.00

Refinement procedure

Resolution	58.730 - 2.120
R-factor	0.1874
Rwork	0.185
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.527
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.730	2.160
High resolution limit [Å]	2.120	2.120
Number of reflections	43361	4322
<I/σ(I)>	10.2
Completeness [%]	99.4
Redundancy	3.7
CC(1/2)	0.997	0.566

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M sodium acetate 0.1 M Tris pH 8.5 30% PEG 4000