4XCG

Crystal structure of a hexadecameric TF55 complex from S. solfataricus, crystal form I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95370
Spacegroup name	I 4 2 2
Unit cell lengths	145.776, 145.776, 248.092
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.595 - 3.737
R-factor	0.2496
Rwork	0.247
R-free	0.29200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4XCD and 3J1B
RMSD bond length	0.005
RMSD bond angle	0.704
Data scaling software	Aimless
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.690	47.690	4.170
High resolution limit [Å]	3.730	8.340	3.730
Rmerge	0.679	0.094	2.699
Rpim	0.152	0.022	0.601
Total number of observations	272824	24672	74743
Number of reflections	14246
<I/σ(I)>	6.9	26	2.2
Completeness [%]	99.6	99.4	98.6
Redundancy	19.2	17.9	19
CC(1/2)	0.984	0.998	0.475

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	293	Tris-HCl, PEG 2000, 2-propanol, strontium chloride, TMAO