2JBP

Protein kinase MK2 in complex with an inhibitor (crystal form-2, co- crystallization)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2005-04-28
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	139.983, 215.564, 179.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.080 - 3.310
Rwork	0.215
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jbo
RMSD bond length	0.017
RMSD bond angle	1.700
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNX (2005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.100	3.380
High resolution limit [Å]	3.300	3.300
Rmerge	0.100	0.600
Number of reflections	78680
<I/σ(I)>	12.8	2
Completeness [%]	97.0	95.1
Redundancy	3.4	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		1.8-2.0M SODIUM POTTASIUM PHOSPHATE PH 7.5, 0.0003M INHIBITOR