2UV2

Crystal Structure Of Human Ste20-Like Kinase Bound To 4-(4-(5- Cyclopropyl-1H-pyrazol-3-ylamino)-quinazolin-2-ylamino)-phenyl)- acetonitrile

Replaces:  2JA0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2006-09-01
Detector	MARRESEARCH
Spacegroup name	P 61 2 2
Unit cell lengths	101.260, 101.260, 176.471
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	60.000 - 2.300
R-factor	0.199
Rwork	0.198
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j51
RMSD bond length	0.011
RMSD bond angle	1.282
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.100	0.860
Number of reflections	24390
<I/σ(I)>	14.2	2.1
Completeness [%]	99.3	95.2
Redundancy	8.4	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		18% PEG3350, 0.15M POTASSIUM THIOCYANATE, 10% ETHYLENE GLYCOL, 0.1M BISTRISPROPANE PH6.5, pH 6.50