7CS8

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	244.363, 244.363, 76.029
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.727 - 2.600
R-factor	0.277985370342
Rwork	0.276
R-free	0.34559
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qyd
RMSD bond length	0.009
RMSD bond angle	1.093
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]	40.730	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.191	1.368
Number of reflections	80035	7931
<I/σ(I)>	16.3
Completeness [%]	100.0
Redundancy	10.4

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