9I9N

Crystal Structure of UFC1 C116E & K108A

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.87313
Spacegroup name	P 41 21 2
Unit cell lengths	46.458, 46.458, 143.776
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.208 - 1.880
Rwork	0.179
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.525
Data scaling software	autoPROC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.210	1.947
High resolution limit [Å]	1.880	1.880
Rmeas	0.037	0.347
Number of reflections	12610	841
<I/σ(I)>	15.5	2.07
Completeness [%]	92.8
Redundancy	2
CC(1/2)	0.999	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1M Tris pH 8.0, 2M Ammonium sulfate