3FPM

Crystal Structure of a Squarate Inhibitor bound to MAPKAP 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	2003-11-24
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1
Spacegroup name	F 41 3 2
Unit cell lengths	254.658, 254.658, 254.658
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 3.300
R-factor	0.28419
Rwork	0.282
R-free	0.33701
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ny3
RMSD bond length	0.006
RMSD bond angle	0.882
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	3.300
Number of reflections	10421

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	296	1600 mM Sodium Malonate pH 5, 1 % MPD, VAPOR DIFFUSION, HANGING DROP, temperature 296K