7CSF

AtPrR1 with NADP+ and (-)secoisolariciresinol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-03-12
Detector	MAR555 FLAT PANEL
Wavelength(s)	0.9798
Spacegroup name	P 1 21 1
Unit cell lengths	74.127, 143.273, 77.066
Unit cell angles	90.00, 116.38, 90.00

Refinement procedure

Resolution	38.397 - 1.982
R-factor	0.178584437499
Rwork	0.178
R-free	0.21860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qyd
RMSD bond length	0.007
RMSD bond angle	0.983
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]	39.840	2.050
High resolution limit [Å]	1.980	1.980
Rmerge	0.121	1.060
Number of reflections	99396	9769
<I/σ(I)>	25.5
Completeness [%]	100.0
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.2 M sodium fluoride, 20% w/v PEG 3350