9UGF

CDK2 small molecule F05

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-01-12
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	53.705, 72.139, 72.195
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.090 - 1.640
R-factor	0.2139
Rwork	0.212
R-free	0.25230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	13.275
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.030	1.730
High resolution limit [Å]	1.640	1.640
Rmerge	0.187
Number of reflections	34977	5063
<I/σ(I)>	6.4
Completeness [%]	100.0
Redundancy	10.4
CC(1/2)		0.463

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	15% PEG3350,100mM Hepes 7.4