11OY

Crystal structure of Human p38 alpha MAPK in Complex with MW01-18-122SRM

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-12-20
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	66.760, 74.507, 78.975
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.200 - 2.022
R-factor	0.212
Rwork	0.211
R-free	0.23380
Structure solution method	SIR
RMSD bond length	0.008
RMSD bond angle	0.890
Data scaling software	Aimless
Phasing software	DIMPLE
Refinement software	BUSTER (2.10.4 (17-JUL-2025))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.200	2.130
High resolution limit [Å]	2.020	2.020
Rmerge	0.056	1.118
Rmeas	0.058	1.160
Rpim	0.016	0.308
Total number of observations	359469	53326
Number of reflections	26450	3805
<I/σ(I)>	19.9	2.2
Completeness [%]	100.0
Redundancy	13.6	14
CC(1/2)	1.000	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	295	20% PEG 10000 0.1M Ammonium Acetate 0.1M Bis-Tris (pH 5.5)