9MHB

Crystal Structure of Human P38 alpha MAPK In Complex with MW01-14-064SRM

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	66.446, 74.862, 78.065
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.300 - 1.650
R-factor	0.17393
Rwork	0.173
R-free	0.20174
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.524
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.044	0.969
Rmeas	0.048
Rpim	0.018	0.381
Number of reflections	47571	2343
<I/σ(I)>	44.9	2.3
Completeness [%]	100.0	100
Redundancy	7.4	7.4
CC(1/2)	0.997	0.746

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	292	Protein: 20.0 mg/ml, 0.15M Sodium chloride, 0.02M Tris-HCl (pH 8.3), 1mM TCEP; Screen: 0.15M Ammomium acetate, 0.1M Bis-Tris (pH 5.5), 16% (w/v) PEG1000; Soak: 3 hrs, 5mM ligand in screen solution; Cryo: 10% Glycerol in screen solution.