30ZO

Prescottella amidase inhibited by PMSF

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	2026-02-04
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.82655
Spacegroup name	P 1
Unit cell lengths	55.657, 66.414, 67.582
Unit cell angles	101.63, 88.82, 111.40

Refinement procedure

Resolution	17.540 - 1.200
R-factor	0.1361
Rwork	0.135
R-free	0.15930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	0.770
Data reduction software	autoPROC (2025-04-07)
Data scaling software	STARANISO (3.0.6 (20250212))
Phasing software	PHASER
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.081	66.081	1.181
High resolution limit [Å]	1.060	3.436	1.060
Rmerge	0.047	0.030	0.744
Rmeas	0.050	0.031	0.848
Rpim	0.017	0.010	0.392
Number of reflections	234949	11747	11747
<I/σ(I)>	17.3	51.8	1.6
Completeness [%]	93.1	100	54.9
Redundancy	8.5	9.4
CC(1/2)	1.000	0.999	0.654

Crystallization Conditions

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