1ONW

Crystal structure of Isoaspartyl Dipeptidase from E. coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	110
Detector technology	AREA DETECTOR
Collection date	2003-01-12
Detector	SIEMENS HI-STAR
Wavelength(s)	1.5418
Spacegroup name	P 4 21 2
Unit cell lengths	116.700, 116.700, 138.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.650
R-factor	0.182
Rwork	0.178
R-free	0.21900
Structure solution method	MIR
RMSD bond length	0.014
RMSD bond angle	20.500 *
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	SOLVE
Refinement software	TNT (5E)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.730
High resolution limit [Å]	1.650	1.650
Rmerge	0.076 *	0.347 *
Number of reflections	112776	12288 *
<I/σ(I)>	13.9	2.3
Completeness [%]	98.2	81.8
Redundancy	9.2	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	4 *	PEG-8000, homopipes, magnesium chloride, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	6-8 (%)
2	1	reservoir	homopipes	100 (mM)	pH5.0
3	1	reservoir		50-100 (mM)
4	1	drop	protein	11.0 (mg/ml)
5	1	drop	Tris	50 (mM)	pH8.1