9FW1

UMG-SP3 amidase from uncultured bacterium in complex with PMSF

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	2023-07-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 43 21 2
Unit cell lengths	90.863, 90.863, 278.919
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.540 - 2.180
R-factor	0.1863
Rwork	0.184
R-free	0.23760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.242
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.540	2.259
High resolution limit [Å]	2.180	2.180
Rmerge	0.048	0.448
Rmeas	0.067	0.633
Rpim	0.048	0.448
Number of reflections	40047	168
<I/σ(I)>	18.69
Completeness [%]	96.8
Redundancy	2
CC(1/2)	0.995	0.632

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Bis-Tris pH 7, 3.8 M Ammonium acetate