7CSE

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	C 1 2 1
Unit cell lengths	211.584, 129.486, 106.320
Unit cell angles	90.00, 90.76, 90.00

Refinement procedure

Resolution	47.750 - 2.440
R-factor	0.183113307057
Rwork	0.182
R-free	0.22249
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qyd
RMSD bond length	0.009
RMSD bond angle	1.398
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]	47.752	2.530
High resolution limit [Å]	2.440	2.440
Rmerge	0.124	1.082
Number of reflections	106057	10355
<I/σ(I)>	22.6
Completeness [%]	100.0
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	0.2 M sodium malonate, pH 6.0, 20% w/v PEG 3350