7Z6B

PET hydrolase PET6 from halophilic organsim Vibrio gazogenes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-04
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	0.9184
Spacegroup name	P 1
Unit cell lengths	44.820, 72.610, 72.760
Unit cell angles	119.78, 91.64, 91.82

Refinement procedure

Resolution	25.700 - 1.400
R-factor	0.1009
Rwork	0.100
R-free	0.12640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xjh
RMSD bond length	0.014
RMSD bond angle	1.515
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.700	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.047	0.248
Rmeas	0.054	0.300
Rpim	0.027	0.165
Number of reflections	150015	14386
<I/σ(I)>	19.45	4.7
Completeness [%]	95.8	91.87
Redundancy	3.8	2.6
CC(1/2)	0.999	0.928

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	293	Buffer for protein (150mM NaCl, 25mM HEPES, pH 7.4), protein concentration 12.3 mg/ml; 1:1 drops 0.4 microliter each Condition: 0.1M Sodium/Potassiumphosphate 35% MPD No cryo