6YQY

Crystal structure of sTIM11noCys, a de novo designed TIM barrel

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	50.452, 50.452, 132.412
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.146 - 1.876
R-factor	0.2226
Rwork	0.220
R-free	0.27010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bvl
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.15_3459)
Refinement software	PHENIX (1.15_3459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.150	1.940
High resolution limit [Å]	1.876	1.876
Rmerge	0.061	1.281
Number of reflections	14703	1410
<I/σ(I)>	27	1.9
Completeness [%]	99.9	99
Redundancy	23.3	23.2
CC(1/2)	1.000	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	298.15	0.2 M Ammonium sulfate, 0.1 M Trisodium citrate pH: 5.6, 25% w/v PEG 4000.