9HTB

CutC in complex with inhibitor2

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	2023-02-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	P 1
Unit cell lengths	81.855, 104.901, 119.717
Unit cell angles	102.55, 108.39, 104.81

Refinement procedure

Resolution	107.450 - 1.584
R-factor	0.1835
Rwork	0.182
R-free	0.20660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.000
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]	107.450	1.980
High resolution limit [Å]	1.584	1.910
Rmerge	0.170	0.668
Rmeas	0.200	0.785
Rpim	0.105	0.407
Total number of observations		93410
Number of reflections	1332651	25457
<I/σ(I)>	3.2	3.2
Completeness [%]	89.0
Redundancy	3.6	3.7
CC(1/2)	0.981	0.671

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