9LTA

Crystal Structure of Compound SKLB-D18 with MAPK7 (ERK5)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-01-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97861
Spacegroup name	P 1 21 1
Unit cell lengths	46.643, 156.917, 49.727
Unit cell angles	90.00, 90.49, 90.00

Refinement procedure

Resolution	49.730 - 2.330
R-factor	0.2523
Rwork	0.249
R-free	0.29160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	16.257
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.730	2.460
High resolution limit [Å]	2.330	2.330
Number of reflections	29547	4394
<I/σ(I)>	10.7
Completeness [%]	97.1
Redundancy	6.6
CC(1/2)	0.996	0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1M Hepes 7.5, 10% PEG4K, 7% isopropanol