6RP3

Truncated Norcoclaurine synthase with reaction intermediate mimic

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9686
Spacegroup name	P 32 2 1
Unit cell lengths	62.256, 62.256, 73.579
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.490 - 1.810
R-factor	0.1967
Rwork	0.194
R-free	0.24410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5n8q
RMSD bond length	0.013
RMSD bond angle	1.873
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.500	1.860
High resolution limit [Å]	1.810	1.810
Rmerge	0.090	2.045
Rpim	0.040	0.864
Number of reflections	15507	1116
<I/σ(I)>	10.14	1.1
Completeness [%]	100.0	98.4
Redundancy	10.3	5.8
CC(1/2)	0.990	0.642

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	22% polyethylene glycol monomethylether 5000, 80 mM Bis-Tris pH 6.5