1NXK

Crystal structure of staurosporine bound to MAP KAP kinase 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-06-15
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1
Spacegroup name	P 63
Unit cell lengths	160.202, 160.202, 133.481
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.700
R-factor	0.23872
Rwork	0.239
R-free	0.27400 *
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	2.360
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC (5.1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.047	0.481
Total number of observations	215726 *
Number of reflections	52352
<I/σ(I)>	20.2	1.6
Completeness [%]	100.0 *	100 *
Redundancy	4.1	3.01

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	296	2M ammonium sulfate, 100 mM HEPES pH 7.5, 2% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 296K
1	Vapor diffusion *	7.5	296	2M ammonium sulfate, 100 mM HEPES pH 7.5, 2% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 296K
1	Vapor diffusion *	7.5	296	2M ammonium sulfate, 100 mM HEPES pH 7.5, 2% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 296K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	reservoir	HEPES	20 (mM)	pH7.5
3	1	reservoir		200 (mM)
4	1	reservoir	dithiothreitol	10 (mM)
5	1	reservoir		5 (mM)