1YBQ

Crystal structure of Escherichia coli isoaspartyl dipeptidase mutant D285N complexed with beta-aspartylhistidine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	277
Detector technology	AREA DETECTOR
Collection date	2004-04-16
Detector	SIEMENS HI-STAR
Wavelength(s)	1.5418
Spacegroup name	P 4 21 2
Unit cell lengths	119.300, 119.300, 138.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.185
Rwork	0.181
R-free	0.24300
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	PDB 1ONW
RMSD bond length	0.012
RMSD bond angle	2.300
Data reduction software	XDS
Data scaling software	XDS
Phasing software	TNT
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.090
High resolution limit [Å]	2.000	2.000
Number of reflections	61655
<I/σ(I)>	11	2.1
Completeness [%]	91.2	75.6
Redundancy	3.8	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	PEG8000, homopipes, magnesium chloride, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K