1NY3

Crystal structure of ADP bound to MAP KAP kinase 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-06-15
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	F 41 3 2
Unit cell lengths	253.049, 253.049, 253.049
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.200 *
R-factor	0.25913
Rwork	0.259
R-free	0.29200 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nzk
RMSD bond length	0.022 *
RMSD bond angle	1.650 *
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	3.110
High resolution limit [Å]	3.100 *	3.000
Rmerge	0.055 *	0.631 *
Total number of observations	90852 *
Number of reflections	12997 *
<I/σ(I)>	32.1	2.29
Completeness [%]	99.3 *	100 *
Redundancy	6.96	21

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5 *	296	2.0M Ammonium Sulfate, pH unbuffered, 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)