6EEQ

Crystal structure of Rhodiola rosea 4-hydroxyphenylacetaldehyde synthase

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]	80
Detector technology	PIXEL
Collection date	2017-12-03
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979100
Spacegroup name	P 43 21 2
Unit cell lengths	118.360, 118.360, 67.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.693 - 2.600
R-factor	0.216565229469
Rwork	0.211
R-free	0.26852
RMSD bond length	0.006
RMSD bond angle	0.751
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	118.420	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	18852
<I/σ(I)>	23.8
Completeness [%]	97.8
Redundancy	23.8
CC(1/2)	0.999	0.486

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.21M potassium thiocyanate and 22% w/v PEG 3350