1U25

Crystal structure of Selenomonas ruminantium phytase complexed with persulfated phytate in the C2221 crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL12B2
Synchrotron site	SPring-8
Beamline	BL12B2
Detector technology	CCD
Collection date	2003-02-15
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0362
Spacegroup name	C 2 2 21
Unit cell lengths	128.376, 228.745, 91.778
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.210 - 2.500
Rwork	0.179
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.980
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	2.530
High resolution limit [Å]	2.440	2.440
Rmerge	0.078
Number of reflections	37388
<I/σ(I)>	13
Completeness [%]	84.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	298	0.1M LiCl, 0.05M CAPSO, 12% PEG6000, 2% PEG200, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K