6ZZ0

Structure of the borneol dehydrogenase of Salvia rosmarinus (apo)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-03
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0332
Spacegroup name	P 43 21 2
Unit cell lengths	108.180, 108.180, 230.366
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 3.100
R-factor	0.2571
Rwork	0.255
R-free	0.30540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bgm
RMSD bond length	0.004
RMSD bond angle	0.748
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]	50.000	3.290
High resolution limit [Å]	3.100	3.100
Rmerge	0.194	2.125
Rmeas	0.198	2.169
Number of reflections	25633	4012
<I/σ(I)>	16.49	1.56
Completeness [%]	99.9	99.6
Redundancy	25.9	25.4
CC(1/2)	0.999	0.889

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	3.0M NaCl 0.1M bis-tris pH 6.0