7A3W

Structure of Imine Reductase from Pseudomonas sp.

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	2019-04-08
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	48.440, 65.391, 81.877
Unit cell angles	90.00, 91.51, 90.00

Refinement procedure

Resolution	81.850 - 1.590
R-factor	0.1918
Rwork	0.190
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6eod
RMSD bond length	0.009
RMSD bond angle	1.488
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.850	1.620
High resolution limit [Å]	1.590	1.590
Rmerge	0.050	0.460
Rpim	0.050	0.400
Number of reflections	57157	3245
<I/σ(I)>	12.3	2.7
Completeness [%]	83.0
Redundancy	4
CC(1/2)	1.000	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M Tris buffer pH 6.5, 25% (w/v) PEG (polyethylene glycol) 3350 and 5 mM NADP+.