7WNW

Crystal structure of Imine Reductase Mutant(M5) from Actinoalloteichus hymeniacidonis in complex with NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97911
Spacegroup name	C 1 2 1
Unit cell lengths	120.555, 62.444, 93.316
Unit cell angles	90.00, 96.75, 90.00

Refinement procedure

Resolution	31.220 - 2.130
R-factor	0.206
Rwork	0.203
R-free	0.25960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wnn
RMSD bond length	0.007
RMSD bond angle	0.897
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.220	2.210
High resolution limit [Å]	2.130	2.130
Number of reflections	38516	3792
<I/σ(I)>	4.31	2.21
Completeness [%]	99.1
Redundancy	6.6
CC(1/2)	0.924	0.231

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291.15	0.25M ammonium sulfate, 0.1M MES buffer pH 6.0, 25% w/v PEG 4000