6A3F

Levoglucosan dehydrogenase, apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-28
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000
Spacegroup name	P 43 21 2
Unit cell lengths	95.649, 95.649, 170.912
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.280 - 1.800
R-factor	0.16839
Rwork	0.167
R-free	0.20192
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4h3v
RMSD bond length	0.013
RMSD bond angle	1.555
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.093	0.694
Number of reflections	74076	3610
<I/σ(I)>	35.4	3.4
Completeness [%]	99.9	100
Redundancy	14.2	13.2
CC(1/2)		0.974

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	sodium cacodylate, ammonium sulfate