1IXN

Enzyme-Substrate Complex of Pyridoxine 5'-Phosphate Synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-06-01
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	128.900, 156.300, 127.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 * - 2.300
R-factor	0.19
Rwork	0.180
R-free	0.22400
Structure solution method	SIRAS
Starting model (for MR)	native protein
RMSD bond length	0.011 *
RMSD bond angle	1.750 *
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.079	0.464
Total number of observations	165177 *
Number of reflections	53504 *
<I/σ(I)>	9.2	1.6
Completeness [%]	90.4 *	93.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8 *	293	microseeding, Garrido-Franco, M., (2000) Acta Crystallogr., Sect.D, 56, 1045. *

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)