6EOD

Structure of Reductive Aminase from Aspergillus terreus in complex with NADPH

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	2015-10-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	75.977, 85.552, 355.423
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	177.710 - 2.200
R-factor	0.20035
Rwork	0.198
R-free	0.23581
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g6r
RMSD bond length	0.015
RMSD bond angle	1.748
Data reduction software	xia2
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	177.710	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.100	0.730
Rpim	0.050	0.400
Number of reflections	118787	5820
<I/σ(I)>	13.2	2.7
Completeness [%]	100.0	100
Redundancy	8.1	8.3
CC(1/2)	1.000	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	31% (w/v) PEG 3350; 0.2 M MgCl2, 0.1 M Tris HCl pH 7.5