8EIP

Crystal structure of cyanophycin dipeptide hydrolase CphZ E251A from Acinetobacter baylyi DSM587 in complex with beta-Asp-Arg

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)	0.9774
Spacegroup name	C 1 2 1
Unit cell lengths	151.529, 126.648, 109.516
Unit cell angles	90.00, 130.39, 90.00

Refinement procedure

Resolution	49.040 - 2.240
R-factor	0.2275
Rwork	0.226
R-free	0.25770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Model generated using Rosetta
RMSD bond length	0.012
RMSD bond angle	1.583
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.600	2.490
High resolution limit [Å]	2.240	2.400
Rmerge	0.072	0.201
Number of reflections	73553	6064
<I/σ(I)>	6.68	0.3
Completeness [%]	99.3
Redundancy	2.8
CC(1/2)	0.999	0.947

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