3UVQ

Human p38 MAP Kinase in Complex with a Dibenzosuberone Derivative

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	66.099, 74.289, 77.727
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.390 - 2.200
R-factor	0.2405
Rwork	0.236
R-free	0.31820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zyj
RMSD bond length	0.015
RMSD bond angle	1.545
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]	49.390	49.390	2.300
High resolution limit [Å]	2.200	16.000	2.200
Rmerge	0.025	0.013	0.368
Rmeas		0.016	0.408
Number of reflections	19971	67	2456
<I/σ(I)>	33.23	93.6	5.15
Completeness [%]	99.7	94.4	100
Redundancy	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	293	100mM MES, 24 % PEG 4000, 50mM n-BOG, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K