6P2I

Acyclic imino acid reductase (Bsp5) in complex with NADPH and D-Arg

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-26
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	71.303, 96.760, 102.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.190 - 1.630
R-factor	0.1583
Rwork	0.157
R-free	0.19380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tx7
RMSD bond length	0.006
RMSD bond angle	0.938
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.480	1.660
High resolution limit [Å]	1.630	1.630
Rpim	0.027	0.406
Number of reflections	89107	4522
<I/σ(I)>	14.4
Completeness [%]	99.8
Redundancy	12
CC(1/2)	0.999	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% (w/v) PEG 3350, 0.2 M sodium tartrate dibasic