8WEQ

p-hydroxybenzoate 3-monooxygenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	125
Detector technology	PIXEL
Collection date	2022-07-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97942
Spacegroup name	P 1 21 1
Unit cell lengths	80.740, 178.030, 89.130
Unit cell angles	90.00, 116.17, 90.00

Refinement procedure

Resolution	29.901 - 3.290
Rwork	0.196
R-free	0.25580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.908
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.901	3.408
High resolution limit [Å]	3.290	3.290
Number of reflections	33249	3361
<I/σ(I)>	14.19
Completeness [%]	96.9
Redundancy	6.8
CC(1/2)	0.997	0.861

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.2M Magnesium chloride hexahydrate, 10% (v/v) Ethylene glycol, 0.1M HEPES pH 7.5, 15% (v/v) PEG Smear Medium, 5% (v/v) 2-Propanol