7ZVC

Second crystal form of the mature glutamic-class prolyl-endopeptidase neprosin at 1.85 A resolution.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 1 21 1
Unit cell lengths	58.860, 40.630, 64.630
Unit cell angles	90.00, 107.98, 90.00

Refinement procedure

Resolution	20.660 - 1.850
R-factor	0.1736
Rwork	0.173
R-free	0.20260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7zu8
RMSD bond length	0.011
RMSD bond angle	1.070
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.500	1.916
High resolution limit [Å]	1.850	1.850
Number of reflections	24437	2007
<I/σ(I)>	12.4
Completeness [%]	97.1
Redundancy	6.55
CC(1/2)	0.998	0.729

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M sodium citrate tribasic pH 5.6, 0.5 M ammonium sulphate, 1 M lithium sulphate