1U26

Crystal structure of Selenomonas ruminantium phytase complexed with persulfated phytate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL17B2
Synchrotron site	NSRRC
Beamline	BL17B2
Detector technology	IMAGE PLATE
Collection date	2001-03-25
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.071
Spacegroup name	P 21 21 2
Unit cell lengths	161.301, 101.923, 46.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.500
Rwork	0.207
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.330
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.081	0.299
Number of reflections	44488
<I/σ(I)>	20
Completeness [%]	98.8	97.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1M Tris-HCl, 20mM Ca(OAc)2, 10% PEG8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K