8DQM

Crystal structure of isoaspartyl aminopeptidase from Roseivivax halodurans DSM 15395

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-08-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.522
Spacegroup name	P 21 21 21
Unit cell lengths	62.222, 154.593, 197.911
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	98.960 - 2.700
R-factor	0.2445
Rwork	0.243
R-free	0.26790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Alphafold model
RMSD bond length	0.013
RMSD bond angle	1.797
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	98.960	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.035	0.156
Number of reflections	59664	5893
<I/σ(I)>	7.76	0.58
Completeness [%]	99.9
Redundancy	11.2
CC(1/2)	0.998	0.953

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M bis-tris propane pH 8.5, 0.2 M disodium malonate and 25% PEG3350