5F70

Crystal structures of human TIM members

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	2014-09-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97972
Spacegroup name	P 21 21 21
Unit cell lengths	27.787, 33.773, 86.875
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.466 - 1.800
R-factor	0.2
Rwork	0.197
R-free	0.25910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2or8
RMSD bond length	0.007
RMSD bond angle	1.188
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.105	0.469
Number of reflections	7934
<I/σ(I)>	11.092	2
Completeness [%]	97.8	95.5
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1M imidazole. 20%(v/v) Jeffamine ED-2001 (pH 7.0)