3BLH

Crystal Structure of Human CDK9/cyclinT1

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	2007-06-29
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9756
Spacegroup name	H 3
Unit cell lengths	172.920, 172.920, 95.760
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.726 - 2.480
Rwork	0.179
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1QMZ FOR CHAIN A PDB ENTRY 2PK2 FOR CHAIN B
RMSD bond length	0.005
RMSD bond angle	0.646
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	86.460	48.740	2.610
High resolution limit [Å]	2.480	7.840	2.480
Rmerge	0.063	0.044	0.472
Total number of observations		2350	15467
Number of reflections	37491
<I/σ(I)>	7.8	14.1	1.6
Completeness [%]	99.1	76.5	100
Redundancy	2.8	2.6	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.1M Tris, 20% PEG 1000, 0.5M NaCl, 4mM TCEP, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K