1YKJ

A45G p-hydroxybenzoate hydroxylase with p-hydroxybenzoate bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-D
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	69.860, 85.897, 146.074
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.510 - 2.000
R-factor	0.201
Rwork	0.201
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1iuw
RMSD bond length	0.017
RMSD bond angle	1.900
Data reduction software	CrystalClear ((MSC/RIGAKU))
Data scaling software	d*TREK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	31.600
High resolution limit [Å]	1.740
Rmerge	0.090
Number of reflections	76039
<I/σ(I)>	4.6
Completeness [%]	84.0
Redundancy	11.89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	310	ammonium sulfate, tris-sulfate, fad, edta, glutathion, sodium sulfite, p-hydroxybenzoate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 310K