6K3G

Crystal structure of 10-Hydroxygeraniol Dehydrogenase from Cantharanthus roseus in complex with NADP+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-12
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0393
Spacegroup name	P 32 1 2
Unit cell lengths	53.180, 53.180, 252.773
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.160 - 2.410
R-factor	0.21017
Rwork	0.207
R-free	0.26611
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yqd
RMSD bond length	0.014
RMSD bond angle	2.000
Data reduction software	MOSFLM (7.2.1)
Data scaling software	Aimless (0.5.21)
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.060	2.500
High resolution limit [Å]	2.410	2.410
Rmerge	0.124	0.849
Rmeas	0.146	0.990
Rpim	0.075	0.500
Number of reflections	16295	1645
<I/σ(I)>	10.9	2.7
Completeness [%]	99.9	99.4
Redundancy	6.8	7
CC(1/2)	0.996	0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	MES, PEG 6000, 2-Methyl-2,4-pentanediol, Sodium chloride