5EKN

Crystal structure of MAPK13 complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-25
Detector	NOIR-1
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	61.047, 70.206, 92.908
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.741 - 2.594
R-factor	0.2204
Rwork	0.218
R-free	0.27310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yno
RMSD bond length	0.003
RMSD bond angle	0.667
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	2.690
High resolution limit [Å]	2.594	2.590
Rmerge	0.091	0.508
Number of reflections	11733
<I/σ(I)>	20.6	3.6
Completeness [%]	88.5	100
Redundancy	7	7.3

Crystallization Conditions

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