9QFN

Crystal structure of T2R-TTL-Li5 complex

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID09
Synchrotron site	ESRF
Beamline	ID09
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	105.450, 157.944, 180.712
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.650 - 2.250
R-factor	0.2188
Rwork	0.217
R-free	0.25760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.532
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((dev_5493: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.650	2.290
High resolution limit [Å]	2.250	2.250
Rmerge	0.095
Rmeas	0.101
Rpim	0.035
Number of reflections	143323	7014
<I/σ(I)>	14.2
Completeness [%]	100.0	99.8
Redundancy	8.3	8.1
CC(1/2)	0.999	0.513

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.1M Mes/0.1M imidazole pH 6.5, 0.03M CaCl2/0.03M MgCl2, 5 mM L-tyrosine, 8.8% glycerol, 5.5% PEG4000