8OOJ

Crystal structure of dCK C4S-S74E mutant in complex with EdC and UDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9785
Spacegroup name	C 2 2 21
Unit cell lengths	137.470, 138.389, 116.825
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.760 - 2.100
R-factor	0.2388
Rwork	0.237
R-free	0.27943
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.905
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.760	2.220
High resolution limit [Å]	2.100	2.100
Number of reflections	65390	10404
<I/σ(I)>	9.64
Completeness [%]	99.8
Redundancy	14.99
CC(1/2)	0.999	0.683

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	285	HEPES 70 mM pH 7.5 Sodium citrate 1.1 M