7QZL

Amine Dehydrogenase from Cystobacter fuscus (CfusAmDH) W145A mutant with NADP+ and pentylamine

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	2021-04-25
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976284
Spacegroup name	C 2 2 21
Unit cell lengths	56.691, 84.310, 284.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.400 - 1.500
R-factor	0.1656
Rwork	0.164
R-free	0.18890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6iau
RMSD bond length	0.012
RMSD bond angle	1.742
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]	47.400	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.080	0.960
Rpim	0.040	0.400
Number of reflections	109306	5350
<I/σ(I)>	17.1	3.1
Completeness [%]	100.0
Redundancy	12.2
CC(1/2)	1.000	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M bis-Tris pH 5.5; 25% PEG 3350 10 mM NADP, 10 mM n-pentylamine