6SOT

Fragment N11290a in complex with MAP kinase p38-alpha

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	2016-02-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92
Spacegroup name	P 21 21 21
Unit cell lengths	46.001, 85.815, 127.218
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.140 - 1.540
R-factor	0.2108
Rwork	0.210
R-free	0.23120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6so1
RMSD bond length	0.008
RMSD bond angle	0.759
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]	85.810	1.580
High resolution limit [Å]	1.540	1.540
Number of reflections	75111	5444
<I/σ(I)>	11.3	1
Completeness [%]	99.7	99.5
Redundancy	6.3	5.4
CC(1/2)	0.999	0.525

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	27.5% PEG3350, 0.1M magnesium chloride, 0.1M magnesium sulphate, 0.1M bis-tris propane, 10% glycerol