3UVR

Human p38 MAP Kinase in Complex with KM064

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	90
Detector technology	PIXEL
Collection date	2011-02-14
Detector	PSI PILATUS 6M
Wavelength(s)	1.000000
Spacegroup name	P 21 21 21
Unit cell lengths	62.858, 68.246, 73.698
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.830 - 2.100
R-factor	0.2062
Rwork	0.204
R-free	0.24480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qud
RMSD bond length	0.011
RMSD bond angle	1.452
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.830	47.830	2.200
High resolution limit [Å]	2.100	16.000	2.100
Rmerge	0.091	0.023	0.386
Rmeas		0.026	0.430
Number of reflections	19044	56	2446
<I/σ(I)>	17.65	44.51	5.21
Completeness [%]	99.8	96.6	99.8
Redundancy	5.31

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	100mM MES, 22% PEG 4000, 50mM n-BOG, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K