9HZ0

Protein kinase MKK7 in complex with K221 targeting compound 1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-10
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.000020
Spacegroup name	P 21 21 21
Unit cell lengths	61.010, 69.140, 83.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.750 - 2.250
R-factor	0.2234
Rwork	0.221
R-free	0.26320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.528
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.350
High resolution limit [Å]	2.250	2.250
Rmeas	0.069	2.560
Number of reflections	17258	2054
<I/σ(I)>	18.58	1.08
Completeness [%]	99.6
Redundancy	13.3
CC(1/2)	1.000	0.658

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	180-220 mM sodium citrate, 15-25% PEG3350