3A61

Crystal structure of unphosphorylated p70S6K1 (Form II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-16
Detector	MAR CCD 165 mm
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	56.636, 63.014, 98.349
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.010 - 3.430
R-factor	0.274
Rwork	0.265
R-free	0.34900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	p70S6K1 homology model based on the published RSK1 structure; PDB ENTRY 2Z7R
RMSD bond length	0.011
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.010	3.520
High resolution limit [Å]	3.400	3.400
Number of reflections	5002
<I/σ(I)>	10.5	7.19
Completeness [%]	99.8	99.8
Redundancy	6.8	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.1M Bis-Tris, pH 5.5, 0.2M lithium sulfate, 30% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K