9SGG

Human UCK1 in complex with NHC and ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-07-30
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	64.886, 154.639, 67.568
Unit cell angles	90.00, 98.77, 90.00

Refinement procedure

Resolution	77.320 - 2.396
Rwork	0.206
R-free	0.25350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.797
Data reduction software	AutoProcess
Data scaling software	AutoProcess
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.105))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.320	2.440
High resolution limit [Å]	2.396	2.400
Number of reflections	51109	2505
<I/σ(I)>	11.5
Completeness [%]	99.1
Redundancy	7.2
CC(1/2)	0.992	0.387

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	Condition C2 of Morpheus Screen: 0.09M NPS, 0.1 M Buffer System 1 pH 6.5, 50 % (v/v) EDO_P8K