7ZBO

Amine Dehydrogenase MATOUAmDH2 in complex with NADP+

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	2020-02-20
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97950
Spacegroup name	P 21 21 21
Unit cell lengths	91.098, 112.195, 153.146
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.210 - 2.320
R-factor	0.2399
Rwork	0.237
R-free	0.28780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6iau
RMSD bond length	0.008
RMSD bond angle	1.633
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]	64.210	2.370
High resolution limit [Å]	2.320	2.320
Rmerge	0.260	1.370
Rpim	0.140	0.740
Number of reflections	68673	4580
<I/σ(I)>	5.8	1.6
Completeness [%]	100.0
Redundancy	8.4
CC(1/2)	0.990	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.2 M ammonium sulfate; 0.1 M bis-tris propane; 25% (w/v) PEG3350; 10% (v/v) methylpentanediol