2GHL

Mutant Mus Musculus P38 Kinase Domain in Complex with Inhibitor PG-874743

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2003-06-01
Detector	MAR CCD 165 mm
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	65.261, 74.426, 76.938
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.452 - 2.099
R-factor	0.22
Rwork	0.199
R-free	0.30060
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.063	0.048	0.391
Number of reflections	21666	2344	1670
<I/σ(I)>	10.3
Completeness [%]	96.0
Redundancy	6.5	6.6	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	288	18%(w/v) PEG 1500 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K