9FZ1

UMG-SP3 amidase from uncultured bacterium in complex with 4,4'-MDA

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-05
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.9763
Spacegroup name	P 43 21 2
Unit cell lengths	90.642, 90.642, 277.711
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.760 - 2.000
R-factor	0.1787
Rwork	0.176
R-free	0.22790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.140
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.760	2.072
High resolution limit [Å]	2.000	2.000
Rmerge	0.038
Rmeas	0.053
Rpim	0.038
Number of reflections	50608	1426
<I/σ(I)>	21.26
Completeness [%]	94.4
Redundancy	2
CC(1/2)	0.998	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M HEPES pH 7.5; 4 M Ammonium acetate; 5 mM sodium malonate