3TN8

CDK9/cyclin T in complex with CAN508

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9762
Spacegroup name	H 3
Unit cell lengths	173.420, 173.420, 97.891
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.068 - 2.950
R-factor	0.1786
Rwork	0.176
R-free	0.22060
Structure solution method	rigid body refinement
Starting model (for MR)	3blh
RMSD bond length	0.005
RMSD bond angle	0.842
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHENIX
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.355	81.923	3.110
High resolution limit [Å]	2.950	9.330	2.950
Rmerge	0.072	0.030	0.589
Total number of observations		2653	12557
Number of reflections	23081
<I/σ(I)>	13.3	21.1	1.2
Completeness [%]	99.8	96.4	100
Redundancy	3.7	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	278	12% PEG 1K, 50 mM sodium/potassium phosphate, 4 mM TCEP, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 278K