3UIB

Map kinase LMAMPK10 from leishmania major in complex with SB203580

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	108
Detector technology	IMAGE PLATE
Collection date	2010-10-20
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	80.900, 80.900, 131.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.090 - 2.650
R-factor	0.2171
Rwork	0.215
R-free	0.24110
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.040
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	AMoRE
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.090	43.089	2.770
High resolution limit [Å]	2.650	8.320	2.630
Rmerge		0.016	0.587
Number of reflections	13224
<I/σ(I)>	13.7	37.9	1.3
Completeness [%]	97.7	98.9	84.3
Redundancy	4.5	4	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	12% PEG 4000, 0.1M HEPES, 4% ISOPROPANOL, 5% GLYCEROL,(ligand SB203580 was introduced by soaking), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K