8OZW

Imine Reductase from Ajellomyces dermatitidis in complex NADPH4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	120
Detector technology	PIXEL
Collection date	2016-12-12
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.92819
Spacegroup name	P 31 2 1
Unit cell lengths	89.390, 89.390, 136.880
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	77.410 - 2.010
Rwork	0.200
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.410	2.060
High resolution limit [Å]	2.010	2.010
Rmerge	0.110	1.540
Rpim	0.050	0.660
Number of reflections	42264	3099
<I/σ(I)>	19.9	1.9
Completeness [%]	100.0
Redundancy	11.4
CC(1/2)	1.000	0.640

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	298	0.1 M PCTP pH 4.0; 25% (w/v) PEG 1500; protein at 10 mg per mL with 2 mM NADPH4