6Y8H

Novel p38-alpha crystal lattice with highly exposed p38/TAB1 non-canonical PPI surface.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9159
Spacegroup name	I 2 2 2
Unit cell lengths	80.864, 102.325, 103.821
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.160 - 1.370
R-factor	0.2196
Rwork	0.218
R-free	0.24020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a9u
RMSD bond length	0.005
RMSD bond angle	0.828
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.160	1.390
High resolution limit [Å]	1.370	1.370
Number of reflections	90228	4412
<I/σ(I)>	10.6	1.2
Completeness [%]	100.0
Redundancy	6.4
CC(1/2)	1.000	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	15% PEG400, 5% PEG550-MME, 0.1M CALCIUM ACETATE, 0.1M MES PH6.0