9KBN

Crystal structure of T2R-TTL-IKP104-Colchicine

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	2023-05-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	159.810, 174.680, 104.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.300 - 2.560
R-factor	0.2285
Rwork	0.228
R-free	0.26180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.563
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.300	2.630
High resolution limit [Å]	2.560	2.560
Number of reflections	93563	6839
<I/σ(I)>	15.4	1.4
Completeness [%]	98.8
Redundancy	7.3
CC(1/2)	0.999	0.537

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	6% poly(ethylene glycol) 4000, 8% glycerol, 0.1 M MES (pH 6.7), 30 mM CaCl2 and 30 mM MgCl2.