2WNI

Crystal Structure Analysis of Klebsiella sp ASR1 Phytase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	110
Detector technology	CCD
Collection date	2007-10-23
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	81.713, 122.929, 205.402
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	105.410 - 2.570
R-factor	0.20244
Rwork	0.200
R-free	0.25097
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.030
RMSD bond angle	2.368
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.650
High resolution limit [Å]	2.580	2.560
Rmerge	0.080	0.240
Number of reflections	62789
<I/σ(I)>	18	5.35
Completeness [%]	98.1	81.2
Redundancy	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				12% PEG8000, 0.08M (NH4)SO4, 0.1M SODIUM ACETATE, 1.5MM PHYTATE