8Y2S

P-hydroxybenzoate hydroxylase complexed with 4-hydroxy-3-methylbenzoic acid

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.980000
Spacegroup name	C 2 2 21
Unit cell lengths	72.251, 141.900, 89.571
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.785 - 2.000
R-factor	0.2199
Rwork	0.218
R-free	0.25350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.711
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.785	2.071
High resolution limit [Å]	2.000	2.000
Rmerge	0.057	0.867
Number of reflections	31316	3058
<I/σ(I)>	19	2.64
Completeness [%]	99.5	99.29
Redundancy	6.7	7
CC(1/2)	0.999	0.869

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	15% PEG 3350, 0.24 M sodium citrate, 0.1 M Bis-trispropane pH6.5, 80 mM 4-hydroxy-3-methylbenzoic acid