1WN1

Crystal Structure of Dipeptiase from Pyrococcus Horikoshii OT3

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-06-13
Detector	RIGAKU RAXIS
Wavelength(s)	0.97929, 0.97950, 1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	57.966, 89.002, 147.159
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.990 - 2.250
R-factor	0.211
Rwork	0.211
R-free	0.24800
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.500
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.330
High resolution limit [Å]	2.250	2.250
Rmerge		0.306
Number of reflections	35622
Completeness [%]	99.4	98.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	PEG400, Cacodylate-NaOH AND 15microlitre MgAcet, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K