7QZN

Amine Dehydrogenase from Cystobacter fuscus (CfusAmDH) W145A mutant with NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	120
Detector technology	PIXEL
Collection date	2021-06-27
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976261
Spacegroup name	P 21 21 21
Unit cell lengths	51.017, 86.227, 142.939
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.090 - 1.640
R-factor	0.1804
Rwork	0.179
R-free	0.21430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6iau
RMSD bond length	0.011
RMSD bond angle	1.713
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.090	1.670
High resolution limit [Å]	1.640	1.640
Rmerge	0.070	1.300
Rpim	0.030	0.540
Number of reflections	78152	3786
<I/σ(I)>	19.1	2
Completeness [%]	100.0
Redundancy	11.8
CC(1/2)	1.000	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0. 1 M Tris-HCl pH 8.5; 0.2 M MgCl2; 8% (w/v) PEG 20000; 8% (v/v) PEG 500 MME; 10 mM NAD