4Q9Z

Human Protein Kinase C Theta in Complex with Compound35 ((1R)-9-(AZETIDIN-3-YLAMINO)-1,8-DIMETHYL-3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-02-29
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	76.954, 78.575, 146.966
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.480 - 2.600
R-factor	0.21987
Rwork	0.219
R-free	0.25595
RMSD bond length	0.009
RMSD bond angle	1.077
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.480	2.810
High resolution limit [Å]	2.600	2.600
Rmerge	0.045	0.450
Number of reflections	28125
Completeness [%]	96.2	98
Redundancy	4	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1