1HO4

CRYSTAL STRUCTURE OF PYRIDOXINE 5'-PHOSPHATE SYNTHASE IN COMPLEX WITH PYRIDOXINE 5'-PHOSPHATE AND INORGANIC PHOSPHATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-01-31
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	128.800, 156.300, 127.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.195
Rwork	0.187
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1HOI
RMSD bond length	0.011
RMSD bond angle	1.540
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.400
High resolution limit [Å]	2.000	2.300
Rmerge	0.046	0.208
Total number of observations	110743 *
Number of reflections	54860 *
<I/σ(I)>	8.6	3.6
Completeness [%]	96.2	95.7
Redundancy	2	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	10% PEG6000, 2M NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 20K