1ONX

Crystal structure of isoaspartyl dipeptidase from escherichia coli complexed with aspartate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	277
Detector technology	AREA DETECTOR
Collection date	2003-01-20
Detector	SIEMENS HI-STAR
Wavelength(s)	1.5418
Spacegroup name	P 4 21 2
Unit cell lengths	119.100, 119.100, 138.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.182
Rwork	0.177
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1onw
RMSD bond length	0.013
RMSD bond angle	17.100 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	TNT (5E)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.082 *	0.263 *
Number of reflections	55201	5640 *
<I/σ(I)>	6.7	1.6
Completeness [%]	94.5	75.4
Redundancy	4.2	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	4 *	PEG8000, 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