3JXP

Crystal Structure of the Coenzyme PQQ Synthesis Protein (PqqB) from Pseudomonas putida

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-18
Detector	RAYONIX MX-225
Wavelength(s)	0.91841
Spacegroup name	P 43 21 2
Unit cell lengths	86.209, 86.209, 109.406
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.700 - 2.200
R-factor	0.19988
Rwork	0.198
R-free	0.24348
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xto
RMSD bond length	0.017
RMSD bond angle	1.522
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.700	2.257
High resolution limit [Å]	2.200	2.200
Rmerge		0.569
Number of reflections	21411
Completeness [%]	98.2	99.62

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M TRIS hydrochloride pH 8.5, 0.2 M Magnesium chloride hexahydrate, 15% w/v PEG 4,000, VAPOR DIFFUSION, SITTING DROP, temperature 293K