9R55

Wee1-like kinase in complex wirh MIPS-54859

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-03-30
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.953738
Spacegroup name	P 1 21 1
Unit cell lengths	50.076, 68.676, 88.557
Unit cell angles	90.00, 91.47, 90.00

Refinement procedure

Resolution	54.322 - 2.670
Rwork	0.212
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.513
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.690	2.720
High resolution limit [Å]	2.670	2.670
Rmerge	0.296	2.579
Rmeas	0.319	2.772
Rpim	0.119	1.010
Total number of observations	123197	6406
Number of reflections	17269	862
<I/σ(I)>	6.6	0.6
Completeness [%]	100.0
Redundancy	7.1	7.4
CC(1/2)	0.983	0.244

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	20% w/v PEG 8000, 0.2 M Magnesium acetate tetrahydrate, 0.1M Sodium cacodylate, pH 6.5