4XCD

Crystal structure of an octadecameric TF55 complex from S. solfataricus

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	2011-09-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95370
Spacegroup name	P 63
Unit cell lengths	163.360, 163.360, 327.290
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	64.930 - 3.790
R-factor	0.2438
Rwork	0.240
R-free	0.27940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ko1
RMSD bond length	0.006
RMSD bond angle	0.978
Data scaling software	Aimless (0.3.6)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.380	65.380	3.910
High resolution limit [Å]	3.780	15.140	3.780
Rmerge	0.330	0.035	2.255
Rpim	0.142	0.016	0.992
Total number of observations	312308	4901	25361
Number of reflections	48892
<I/σ(I)>	5.2	31	0.9
Completeness [%]	99.4	98.8	93.6
Redundancy	6.4	6.2	6.1
CC(1/2)	0.995	0.997	0.378

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	HEPES-Na, sodium formate, TMAO