5EKO

Crystal structure of MAPK13 complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0070
Spacegroup name	P 21 21 21
Unit cell lengths	61.263, 69.669, 93.068
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.716 - 2.000
R-factor	0.2022
Rwork	0.200
R-free	0.24120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yno
RMSD bond length	0.004
RMSD bond angle	0.904
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.055	0.369
Number of reflections	22441
<I/σ(I)>	21.6	2.5
Completeness [%]	81.2	87.8
Redundancy	4.6	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	290	50 MM AMMONIUM TARTRATE, 18% PEG3350