30ZU

Bovine trypsin 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	2025-06-16
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.688790
Spacegroup name	P 21 21 21
Unit cell lengths	54.582, 58.161, 66.644
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.710 - 1.050
R-factor	0.1195
Rwork	0.119
R-free	0.13960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.120
Data reduction software	autoPROC (2025-04-07)
Data scaling software	STARANISO (3.0.6)
Phasing software	PHASER
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.820	43.820	1.043
High resolution limit [Å]	0.987	2.844	0.987
Rmerge	0.085	0.037	2.021
Rmeas	0.088	0.038	2.096
Rpim	0.024	0.010	0.553
Number of reflections	106327	5316	5316
<I/σ(I)>	14.2	58	1.3
Completeness [%]	98.9	100	75.6
Redundancy	13.7	13.5	14.2
CC(1/2)	0.999	0.999	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% (w/v) PEG 8000, 50 mM HEPES pH 7.0, 0.2 M Ammonium sulfate, 3 mM CaCl2