6DLL

2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase from Pseudomonas putida in Complex with FAD.

Replaces:  5TTI

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	2016-08-22
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	65.041, 152.300, 88.636
Unit cell angles	90.00, 102.43, 90.00

Refinement procedure

Resolution	29.610 - 2.200
R-factor	0.17013
Rwork	0.167
R-free	0.22167
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pbb
RMSD bond length	0.008
RMSD bond angle	1.284
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.059	0.805
Rmeas	0.067	0.915
Rpim	0.031	0.431
Number of reflections	86948	4317
<I/σ(I)>	23.8	1.94
Completeness [%]	100.0	100
Redundancy	4.5	4.5
CC(1/2)		0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	Protein: 13.8 mg/ml, 0.01M Tris HCl (pH 8.3), 1mM FAD; Screen: PACT (F4), 0.2M Potassium thiocyanate, 0.1M Bis-Tris propane (pH 6.5), 20% (w/v) PEG 3350.