30ZP

Prescottella amidase WT

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	2025-10-26
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9762
Spacegroup name	P 1
Unit cell lengths	55.460, 66.050, 67.560
Unit cell angles	101.81, 88.60, 111.28

Refinement procedure

Resolution	18.160 - 1.250
R-factor	0.1462
Rwork	0.145
R-free	0.17470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	0.710
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.029	66.029	1.281
High resolution limit [Å]	1.250	4.974	1.250
Rmerge	0.063	0.020	0.946
Rmeas	0.074	0.023	1.112
Rpim	0.039	0.012	0.580
Number of reflections	191790	3836	3837
<I/σ(I)>	15.3	63.8	2
Completeness [%]	93.6	100	59.3
Redundancy	7.1	7.6	7
CC(1/2)	0.999	0.999	0.608

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% (w/v) PEG3350, 200 mM Magnesium formate, 100 mM HEPES pH 7.4