8EIN

Crystal structure of WT cyanophycin dipeptide hydrolase CphZ from Acinetobacter baylyi DSM587

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-04
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	152.632, 128.015, 107.078
Unit cell angles	90.00, 129.48, 90.00

Refinement procedure

Resolution	48.940 - 2.700
R-factor	0.2433
Rwork	0.242
R-free	0.26220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Ab initio model generated with Rosetta
RMSD bond length	0.014
RMSD bond angle	1.772
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]	81.800	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.037
Number of reflections	39871	1138
<I/σ(I)>	15.26
Completeness [%]	83.8
Redundancy	5.3
CC(1/2)	0.998	0.847

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.1 M bis-tris propane pH 7.5, 24% PEG3350, 0.2 M NaBr, 10 mM spermine and 10 mM LiCl