6ZZT

Structure of the borneol dehydrogenases of Salvia rosmarinus (high salt condition)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-05
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9841
Spacegroup name	P 43 21 2
Unit cell lengths	107.386, 107.386, 218.571
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.140 - 2.600
R-factor	0.2123
Rwork	0.210
R-free	0.25440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bgm
RMSD bond length	0.006
RMSD bond angle	0.870
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.760
High resolution limit [Å]	2.600	2.600
Rmerge	0.145	2.284
Rmeas	0.152	2.386
Number of reflections	40188	6358
<I/σ(I)>	13.5	0.93
Completeness [%]	99.9	99.7
Redundancy	11.8	12
CC(1/2)	0.999	0.612

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Bis-Tris/HCl pH 5.5 to pH 7.2, and 2.7 M to 3.2 M NaCl