34WN

Actinomycetes hydrolase inhibited by 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	2026-04-18
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.93928
Spacegroup name	P 1 21 1
Unit cell lengths	69.024, 46.378, 93.414
Unit cell angles	90.00, 102.41, 90.00

Refinement procedure

Resolution	34.490 - 1.600
R-factor	0.1505
Rwork	0.150
R-free	0.17780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.742
Data reduction software	DIALS (v3.29)
Data scaling software	DIALS (v3.29)
Phasing software	PHASER (2.9.0)
Refinement software	PHENIX (2.2.1_6174)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.202	38.214	1.580
High resolution limit [Å]	1.550	3.338	1.550
Rmerge	0.171	0.077	1.545
Rpim	0.048	0.048	0.442
Number of reflections	84158	8644	4167
<I/σ(I)>	8.9	32.848	0.9
Completeness [%]	99.9	99.884	99.98
Redundancy	13.603	13.633	13
CC(1/2)	0.997	0.997	0.648

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM glycine pH 9, 12,66% PEG6000