9GKU

Crystal Structure of Propanil hydrolase (PrpH) from Sphingomonas sp. Y57

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976200
Spacegroup name	P 1
Unit cell lengths	103.861, 103.698, 104.499
Unit cell angles	113.60, 93.00, 120.61

Refinement procedure

Resolution	44.560 - 1.480
R-factor	0.1743
Rwork	0.173
R-free	0.19860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.850
Data reduction software	XDS (version february 5, 2021)
Data scaling software	XDS (version february 5, 2021)
Phasing software	PHASER (v3.55.2)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.569	1.570
High resolution limit [Å]	1.480	1.480
Rmeas	0.076
Number of reflections	493656	56793
<I/σ(I)>	9.1
Completeness [%]	90.8	64.6
Redundancy	3.4
CC(1/2)	0.997	0.665

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	4% tacsimate pH 6 12% (w/v) PEG3350