9R0V

CutC IN COMPLEX WITH Inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	80.050, 231.711, 105.887
Unit cell angles	90.00, 111.08, 90.00

Refinement procedure

Resolution	46.950 - 1.341
R-factor	0.1766
Rwork	0.176
R-free	0.19350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.080
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	BUSTER (2.11.8 (8-JUN-2022) PACIOREK)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.320	1.390
High resolution limit [Å]	1.341	1.341
Rmerge	0.069	0.951
Number of reflections	694115	28578
<I/σ(I)>	12.2
Completeness [%]	86.9
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	25% PEG 3350, 0.2 M ammonium sulfate, and 0.1 M Bis-Tris pH 5.5