1IXP

Enzyme-phosphate 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	2001-01-30
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	132.000, 154.800, 130.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 * - 2.300
R-factor	0.215
Rwork	0.210
R-free	0.26600
Structure solution method	SIRAS
Starting model (for MR)	native structure
RMSD bond length	0.009
RMSD bond angle	1.440
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	0.123	0.381
Total number of observations	190793 *
Number of reflections	55933 *
<I/σ(I)>	5.7	1.7
Completeness [%]	94.6	89.2

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)