6TTO

N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with 2-oxoglutarate

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	39.896, 79.808, 104.437
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.700 - 1.310
R-factor	0.1375
Rwork	0.137
R-free	0.16380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ttn
RMSD bond length	0.010
RMSD bond angle	1.059
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]	43.700	1.390
High resolution limit [Å]	1.310	1.310
Rmeas	0.079	1.366
Number of reflections	81465	12961
<I/σ(I)>	14.6	1.3
Completeness [%]	99.8	99.4
Redundancy	6.5	6.6
CC(1/2)	0.999	0.578

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Protein sample: 37.5 mg/ml tH6H in water. Mother liquor: 100 mM disodium 2-oxoglutarate, 100 mM strontium chloride, 200 mM sodium formate, 25% PEG 3350. 1.3 uL of protein solution, 1 uL of mother liquor, 0.3 uL of 100x diluted seeds stock of tH6H:NOG:Hyo crystals.