8CVH

Structure of L289F Hyoscyamine 6-beta Hydroxylase in complex with vanadyl, succinate, and 6-OH-hyoscyamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2021-02-03
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	44.915, 79.102, 56.276
Unit cell angles	90.00, 111.25, 90.00

Refinement procedure

Resolution	43.752 - 2.030
Rwork	0.201
R-free	0.24950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ttm
RMSD bond length	0.003
RMSD bond angle	1.187
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.030	2.030
Rmerge	0.213	1.715
Rpim	0.137	1.102
Number of reflections	23863	1421
<I/σ(I)>	6.63	0.82
Completeness [%]	99.7
Redundancy	3.8
CC(1/2)	0.971	0.118

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 3350, sodium formate, strontium chloride