9L75

A novel PE hydrolase and its structural basis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-09
Detector	Bruker PHOTON II
Wavelength(s)	1.542
Spacegroup name	P 65
Unit cell lengths	169.420, 169.420, 54.990
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.350 - 2.720
R-factor	0.2086
Rwork	0.206
R-free	0.26310
Structure solution method	AB INITIO PHASING
RMSD bond length	0.008
RMSD bond angle	0.962
Data reduction software	APEX 2
Data scaling software	APEX 2
Phasing software	HKL-3000
Refinement software	AMBER (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.350	5.430
High resolution limit [Å]	2.720	2.720
Rmeas	0.149
Number of reflections	24571	24571
<I/σ(I)>	11.6	11.6
Completeness [%]	96.0
Redundancy	6.7
CC(1/2)		0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	42% PEG 200 0.1 M HEPES pH 7.5