2W1H

Fragment-Based Discovery of the Pyrazol-4-yl urea (AT9283), a Multi- targeted Kinase Inhibitor with Potent Aurora Kinase Activity

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	53.570, 71.823, 72.476
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 2.150
R-factor	0.263
Rwork	0.263
R-free	0.30800
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.007
RMSD bond angle	1.370
Refinement software	CNS (NULL)

Data quality characteristics

	Overall
Low resolution limit [Å]	35.000
High resolution limit [Å]	2.150
Rmerge	0.100
Number of reflections	15441
<I/σ(I)>	3.1
Completeness [%]	98.0
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1