4XCI

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

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	2013-07-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95370
Spacegroup name	I 4 2 2
Unit cell lengths	148.420, 148.420, 304.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.907 - 3.002
R-factor	0.2373
Rwork	0.236
R-free	0.26550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ko1 3j1b
RMSD bond length	0.004
RMSD bond angle	0.854
Data scaling software	Aimless (0.3.6)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9-1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.830	48.830	3.150
High resolution limit [Å]	3.000	9.950	3.000
Rmerge	0.381	0.039	4.912
Rpim	0.102	0.011	1.307
Total number of observations	507888	13969	67858
Number of reflections	34477
<I/σ(I)>	6.8	42.2	0.6
Completeness [%]	100.0	99.2	100
Redundancy	14.7	13.2	15
CC(1/2)	0.997	0.998	0.408

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