6M5N

Apo-Form Structure of Borneol Dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-11-07
Detector	RAYONIX MX300HE
Wavelength(s)	1.0000
Spacegroup name	F 2 2 2
Unit cell lengths	71.629, 96.507, 142.562
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.550 - 1.840
R-factor	0.1581
Rwork	0.157
R-free	0.18150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 3ak4
RMSD bond length	0.005
RMSD bond angle	0.957
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.910
High resolution limit [Å]	1.840	1.840
Rmerge	0.137	0.842
Rpim	0.067	0.413
Number of reflections	21642	2120
<I/σ(I)>	11.54	2.03
Completeness [%]	100.0	100
Redundancy	5	5
CC(1/2)	0.918	0.679

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	PEG 8000, sodium acetate, lithium sulfate