6G1M

Amine Dehydrogenase from Petrotoga mobilis; open and closed form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	120
Detector technology	PIXEL
Collection date	2017-09-09
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97965
Spacegroup name	C 1 2 1
Unit cell lengths	140.113, 83.642, 125.712
Unit cell angles	90.00, 94.28, 90.00

Refinement procedure

Resolution	125.360 - 2.320
R-factor	0.25044
Rwork	0.248
R-free	0.29531
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6g1h
RMSD bond length	0.014
RMSD bond angle	1.805
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	125.360	2.380
High resolution limit [Å]	2.320	2.320
Rmerge	0.130	0.690
Rpim	0.080	0.430
Number of reflections	62492	4560
<I/σ(I)>	9.6	2.8
Completeness [%]	99.6	99.3
Redundancy	6.7
CC(1/2)	1.000	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M Tris-HCl pH 6.5, 0,2M Li2SO4, 25% PEG 2000 MME