2C6E

Aurora A kinase activated mutant (T287D) in complex with a 5- aminopyrimidinyl quinazoline inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	291
Detector technology	CCD
Collection date	2000-11-07
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	52.603, 88.421, 67.832
Unit cell angles	90.00, 90.01, 90.00

Refinement procedure

Resolution	53.000 - 2.100
Rwork	0.200
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 1ATP AND 2C6D
RMSD bond length	0.019
RMSD bond angle	1.800
Data reduction software	MOSFLM
Data scaling software	CCP4
Phasing software	EPMR
Refinement software	CNX (2000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.000	2.250
High resolution limit [Å]	2.100	2.100
Rmerge	0.070	0.300
Number of reflections	26294
<I/σ(I)>	7	2.1
Completeness [%]	72.5	25.5
Redundancy	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		pH 7.50