7CS7

IiPLR1 with NADP+ and (+)secoisolariciresinol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9798
Spacegroup name	P 61
Unit cell lengths	243.609, 243.609, 76.027
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.247 - 2.298
R-factor	0.197982054782
Rwork	0.197
R-free	0.25228
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qyd
RMSD bond length	0.008
RMSD bond angle	1.009
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.250	2.380
High resolution limit [Å]	2.290	2.300
Rmerge	0.182	1.408
Number of reflections	114534	11189
<I/σ(I)>	18.1
Completeness [%]	99.8
Redundancy	9.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	0.2M sodium citrate tribasic, 0.1 M sodium citrate/citric acid, pH 4.0, 20% PEG 3350