3MRU

Crystal Structure of Aminoacylhistidine Dipeptidase from Vibrio alginolyticus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL12B2
Synchrotron site	SPring-8
Beamline	BL12B2
Temperature [K]	110
Detector technology	CCD
Collection date	2006-08-21
Detector	ADSC QUANTUM 4r
Wavelength(s)	1
Spacegroup name	P 65
Unit cell lengths	80.407, 80.407, 303.095
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.570 - 3.000
Rwork	0.231
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qyv
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.21)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.140
High resolution limit [Å]	3.000	3.000
Rmerge	0.070	0.352
Number of reflections	21851
<I/σ(I)>	17.6	4.8
Completeness [%]	99.8	99.9
Redundancy	4.2	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	28%(v/v) PEG 400, 0.2M Calcium chloride, 0.1M HEPES-Na buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	28%(v/v) PEG 400, 0.2M Calcium chloride, 0.1M HEPES-Na buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K