5N8Q

Structure of truncated Norcoclaurine Synthase from Thalictrum flavum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-02
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.970
Spacegroup name	P 2 21 21
Unit cell lengths	38.046, 109.632, 136.739
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	85.680 - 2.000
R-factor	0.199
Rwork	0.197
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2VQ5 CHAIN A
RMSD bond length	0.022
RMSD bond angle	2.078
Data reduction software	DIALS (1.0-0-g66ac5d4)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	109.630	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.147	1.141
Number of reflections	39359
<I/σ(I)>	6.1	1.7
Completeness [%]	99.3	99.7
Redundancy	5.4	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	289	10% w/v polyethylene glycol 1000, 10% w/v polyethylene glycol 8000 20 mM Tris, 50 mM NaCl, ph 7.5