6TTN

N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with N-oxalylglycine and hyoscyamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	39.894, 79.841, 104.701
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.780 - 1.120
R-factor	0.1274
Rwork	0.127
R-free	0.14610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ttm
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.780	1.180
High resolution limit [Å]	1.120	1.120
Rmeas	0.090	1.734
Number of reflections	129252	19792
<I/σ(I)>	15.2	1.2
Completeness [%]	99.2	95
Redundancy	12.4	9.1
CC(1/2)	0.999	0.460

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Protein sample: 29 mg/ml tH6H in water, 100 mM N-oxalylglycine, 10 mM hyoscyamine. Mother liquor: 100 mM strontium chloride, 200 mM sodium formate, 20% PEG 3350.