3F4M

Crystal structure of TIPE2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2008-05-28
Detector	ADSC QUANTUM 210
Wavelength(s)	1.5
Spacegroup name	P 62 2 2
Unit cell lengths	91.815, 91.815, 67.952
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.829 - 1.696
R-factor	0.1901
Rwork	0.187
R-free	0.24320
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.726
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.760
High resolution limit [Å]	1.696	1.696
Rmerge	0.056	0.661
Number of reflections	19032
<I/σ(I)>		3.2
Completeness [%]	98.8	99.9
Redundancy	6.6	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	291	13% PEGMME2000, 0.23M Sodium Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	5.6	291	13% PEGMME2000, 0.23M Sodium Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	5.6	291	13% PEGMME2000, 0.23M Sodium Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K