3NTH

Crystal structure of Tudor and Aubergine [R13(me2s)] complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9792
Spacegroup name	P 43 21 2
Unit cell lengths	48.012, 48.012, 152.044
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.800
Rwork	0.219
R-free	0.27570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ntk
RMSD bond length	0.006
RMSD bond angle	1.350
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CCP4
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.098	0.401
Number of reflections	4661
<I/σ(I)>		2.5
Completeness [%]	96.4	94.6
Redundancy	4.5	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	289	30% PEG8000, 0.2M sodium acetate trihytrate, 0.1M sodium cacodylate trihydrate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K