9SN1

Lip3 DL-peptidase in the apo-state

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	2023-09-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	I 2 2 2
Unit cell lengths	97.410, 122.310, 143.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.710 - 2.040
R-factor	0.1984
Rwork	0.197
R-free	0.22570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.490
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.200
High resolution limit [Å]	2.040	2.040
Rpim	0.087	0.505
Number of reflections	39932	1997
<I/σ(I)>	7.16	1.62
Completeness [%]	73.1	17.89
Redundancy	23.7	24.6
CC(1/2)	0.994	0.601

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	293	0.9 M K2HPO4 0.1 M NaH2PO4 0.1 M HEPES