1POO

THERMOSTABLE PHYTASE FROM BACILLUS SP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6B
Synchrotron site	Photon Factory
Beamline	BL-6B
Temperature [K]	296
Detector technology	IMAGE PLATE
Detector	MACSCIENCE
Spacegroup name	P 21 21 21
Unit cell lengths	51.100, 64.800, 105.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.100
Rwork	0.214
R-free	0.29100
Structure solution method	MIRAS
RMSD bond length	0.009
RMSD bond angle	1.495
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.100
Rmerge	0.061 *	0.264 *
Number of reflections	20586
Completeness [%]	97.3	94.5 *
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5	277 *	Ha, N.C., (1999) Acta Crystallogr., D55, 691. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	40 (mg/ml)
2	1	reservoir	MPD	20 (%)
3	1	reservoir	MES	0.1 (M)