1UA2

Crystal Structure of Human CDK7

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	2003-11-22
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9756
Spacegroup name	P 1 21 1
Unit cell lengths	65.501, 191.635, 75.794
Unit cell angles	90.00, 94.40, 90.00

Refinement procedure

Resolution	49.450 - 3.020
R-factor	0.21659
Rwork	0.213
R-free	0.28790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Human CDK2
RMSD bond length	0.016
RMSD bond angle	1.923
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.450	3.180
High resolution limit [Å]	2.960	3.020
Rmerge	0.129	0.466
Number of reflections	35416
<I/σ(I)>	9.5	1.6
Completeness [%]	92.9	70.1
Redundancy	3.8	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.4	277	Na Citrate, Na Acetate, PEG 4000, glycerol, NDSB201, ATP, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 4.0K
1	VAPOR DIFFUSION, SITTING DROP	6.4	277	Na Citrate, Na Acetate, PEG 4000, glycerol, NDSB201, ATP, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 4.0K