6YCW

Fragment KCL_K767 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	2018-01-29
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9159
Spacegroup name	I 2 2 2
Unit cell lengths	80.870, 102.193, 103.525
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.730 - 1.340
R-factor	0.2295
Rwork	0.229
R-free	0.25060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6y85
RMSD bond length	0.005
RMSD bond angle	0.843
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.730	1.360
High resolution limit [Å]	1.340	1.340
Number of reflections	96037	4690
<I/σ(I)>	1.1	1.1
Completeness [%]	99.9	98.9
Redundancy	6.4	6
CC(1/2)	1.000	0.500

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