5XKE

Crystal structure of T2R-TTL-Demecolcine complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-05
Detector	PSI PILATUS 6M
Wavelength(s)	0.97845
Spacegroup name	P 21 21 21
Unit cell lengths	105.405, 158.023, 182.429
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.600
R-factor	0.22277
Rwork	0.221
R-free	0.26390
RMSD bond length	0.007
RMSD bond angle	1.187
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.600
Number of reflections	89083
<I/σ(I)>	12.125
Completeness [%]	99.6
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7	293	6% polyethylene glycol 4000, 8% glycerol, 0.1 M MES, 30 mM CaCl2, 30 mM MgCl2, pH 6.7