1HO1

CRYSTAL STRUCTURE OF PYRIDOXINE 5'-PHOSPHATE SYNTHASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Collection date	1999-10-16
Detector	MARRESEARCH
Wavelength(s)	1.05
Spacegroup name	C 2 2 21
Unit cell lengths	131.129, 155.358, 129.911
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.208
Rwork	0.206
R-free	0.25300
Structure solution method	SIRAS
RMSD bond length	0.011
RMSD bond angle	1.530
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	SHARP
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.056	0.452
Total number of observations	345047 *
Number of reflections	87995 *
<I/σ(I)>	9.2	4.8
Completeness [%]	98.7	98.5
Redundancy	3.9	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5	293	microseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	drop	Tris-HCl	2 (mM)
3	1	reservoir	PEG6000	10 (%)
4	1	reservoir		2 (M)