5W9A

The structure of the Trim5alpha Bbox- coiled coil in complex LC3B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	110
Detector technology	CCD
Collection date	2016-11-08
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.25
Spacegroup name	P 2 21 21
Unit cell lengths	72.014, 115.319, 174.164
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.910 - 2.740
R-factor	0.2602
Rwork	0.260
R-free	0.27430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tn3 3wao
Data reduction software	XDS (3.22)
Data scaling software	Aimless
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.910	40.910	2.969
High resolution limit [Å]	2.740	8.961	2.740
Rmerge	0.115	0.046	1.820
Rmeas	0.120	0.048	1.892
Rpim	0.034	0.014	0.514
Total number of observations	298683	12528	16041
Number of reflections	24308	1214	1215
<I/σ(I)>	13	40.1	1.5
Completeness [%]	92.9	98.2	61.7
Redundancy	12.3	10.3	13.2
CC(1/2)	0.999	0.998	0.367

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	0.2 M NH4Cl, 0.1 M Tris pH8, 20% PEG 6,000