9QR8

Gliadin degrading prolyl endopeptidase Celiacase (neprosin C334V)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-14
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.97919
Spacegroup name	P 1 21 1
Unit cell lengths	59.010, 39.580, 64.640
Unit cell angles	90.00, 108.11, 90.00

Refinement procedure

Resolution	61.440 - 1.900
R-factor	0.2108
Rwork	0.210
R-free	0.25820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.901
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.440	2.010
High resolution limit [Å]	1.900	1.900
Rmerge		0.158
Rmeas		0.186
Number of reflections	21884	21336
<I/σ(I)>	6.8
Completeness [%]	96.3
Redundancy	3.3
CC(1/2)	0.992

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M sodium sulphate, 0.1 M Bis-Tris propane (pH 6.5) and 22% polyethylene glycol (PEG) 3350