1R8K

PDXA PROTEIN; NAD-DEPENDENT DEHYDROGENASE/CARBOXYLASE; SUBUNIT OF PYRIDOXINE PHOSPHATE BIOSYNTHETIC PROTEIN PDXJ-PDXA [SALMONELLA TYPHIMURIUM]

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2003-10-16
Detector	SBC-2
Wavelength(s)	0.97919
Spacegroup name	P 41
Unit cell lengths	119.954, 119.954, 55.541
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.540 - 2.100
Rwork	0.208
R-free	0.23400
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.099	0.440
Number of reflections	46373
<I/σ(I)>	7.3
Completeness [%]	99.7	97.5
Redundancy	14.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	MES buffer, Cobaltous Chloride, Ammonium Sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K