8YPF

The crystal structure of inactive p38 complexed with a ATF2 from 46 to 90

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.975
Spacegroup name	P 31 2 1
Unit cell lengths	81.873, 81.873, 122.585
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.940 - 2.000
R-factor	0.1921
Rwork	0.191
R-free	0.21810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.893
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.040	0.870
Number of reflections	32662	3201
<I/σ(I)>	34.24	2.36
Completeness [%]	99.7	99.9
Redundancy	5.5	5.6
CC(1/2)	1.000	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	25% PEG1500, 0.1 M MMT buffer (DL-malic acid, MES monohydrate and Tris base, molar ratios 1:2:2) pH 7.0