6G1H

Amine Dehydrogenase from Petrotoga mobilis; open form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	120
Detector technology	PIXEL
Collection date	2017-08-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91587
Spacegroup name	P 61 2 2
Unit cell lengths	82.038, 82.038, 217.409
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	71.040 - 1.790
R-factor	0.16051
Rwork	0.159
R-free	0.19617
Structure solution method	SAD
RMSD bond length	0.022
RMSD bond angle	2.059
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	CRANK
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.040	1.830
High resolution limit [Å]	1.790	1.790
Rmerge	0.060	0.700
Rpim	0.020	0.300
Number of reflections	41623	2379
<I/σ(I)>	34.7	5.3
Completeness [%]	99.2
Redundancy	23.6
CC(1/2)	1.000	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M Bis-tris pH 6.5 0.8M Li2SO4