8DQN

Crystal structure of isoaspartyl dipeptidase from Leucothrix mucor DSM2157

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-24
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	153.493, 163.691, 170.453
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	118.340 - 1.800
R-factor	0.16724
Rwork	0.166
R-free	0.18695
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.614
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	118.340	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.100	0.868
Number of reflections	386931	38129
<I/σ(I)>	9.68	0.56
Completeness [%]	98.2	97.5
Redundancy	13.6	13.2
CC(1/2)	0.999	0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.56 M NaH2PO4 and 1.04 M K2HPO4