3O6D

Pyridoxal phosphate biosynthetic protein PdxJ from Campylobacter jejuni in complex with pyridoxine-5'-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	I 4 2 2
Unit cell lengths	90.239, 90.239, 156.081
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.000 - 1.950
R-factor	0.1714
Rwork	0.170
R-free	0.19710
Structure solution method	SAD
RMSD bond length	0.019
RMSD bond angle	1.594
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.900	50.000	1.980
High resolution limit [Å]	1.950	5.290	1.950
Rmerge	0.070	0.041	0.774
Number of reflections	23944
<I/σ(I)>	11.2		2.37
Completeness [%]	99.9	98.5	100
Redundancy	6.8	6.1	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289	0.056 M sodium phosphate, 1.344 di-potassium phosphate, (10 mM PYRIDOXINE-5'-PHOSPHATE was used for crystal soaking), pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 289K