7LJH

Structure of poly(aspartic acid) hydrolase PahZ2 with Zn+2 bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-24
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.28273
Spacegroup name	P 21 21 21
Unit cell lengths	48.399, 146.174, 197.238
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	117.440 - 2.500
R-factor	0.1857
Rwork	0.185
R-free	0.21280
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.523
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AutoSol
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	117.440	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	49265	4588
<I/σ(I)>	16.43	1.4
Completeness [%]	99.3
Redundancy	2
CC(1/2)	0.997	0.591

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	15% PEG 3350, 0.1 M HEPES pH 6.5, and the silver bullets D4 (Hampton) cocktail (0.005M gadolinium(III) chloride hexahydrate, 0.005M samarium(III) chloride hexahydrate, 0.05M benzamidine hydrochloride, 0.25% w/v salicin, and 0.02M HEPES pH 6.8)