7CSD

AtPrR1 with NADP+ and (+)lariciresinol

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	73.872, 143.671, 76.102
Unit cell angles	90.00, 116.33, 90.00

Refinement procedure

Resolution	34.641 - 1.797
R-factor	0.186155082247
Rwork	0.186
R-free	0.22174
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qyd
RMSD bond length	0.008
RMSD bond angle	1.536
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]	34.642	1.860
High resolution limit [Å]	1.797	1.800
Rmerge	0.085	0.857
Number of reflections	129808	11685
<I/σ(I)>	27.9
Completeness [%]	99.6
Redundancy	3.6

Crystallization Conditions

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