2FKN

crystal structure of urocanase from bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-09-04
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	99.791, 131.268, 164.696
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.205
Rwork	0.205
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.340
Data reduction software	HLK
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.064	0.335
Number of reflections	107286
Completeness [%]	97.0	91.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	289	0.2m Ammonium acetate, 0.1m Tris, 25% Polyethylene glycol 3350, pH 8.50, VAPOR DIFFUSION, HANGING DROP, temperature 289K