4DLI

Human p38 MAP kinase in complex with RL87

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	90
Detector technology	CCD
Collection date	2009-05-08
Detector	MARRESEARCH
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	66.260, 74.220, 77.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.740 - 1.910
R-factor	0.2163
Rwork	0.215
R-free	0.25460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zyj
RMSD bond length	0.015
RMSD bond angle	1.455
Data scaling software	XSCALE
Phasing software	PHASER (1.3.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.000		2.000
High resolution limit [Å]	1.910	16.000	1.910
Rmerge	0.040	0.015	0.401
Number of reflections	30306	48	3870
<I/σ(I)>	21.98	48.52	3.99
Completeness [%]	99.5	67.6	99.8
Redundancy	3.97

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	100 mM MES, 20-30% PEG4000, 50 mM n-BOG, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K