6A42

R1EN(5-223)-ubiquitin fusion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	90
Detector technology	CCD
Collection date	2015-06-03
Detector	RAYONIX MX300HE
Wavelength(s)	0.900
Spacegroup name	P 3 2 1
Unit cell lengths	141.206, 141.206, 37.905
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.230 - 1.700
R-factor	0.19245
Rwork	0.191
R-free	0.22001
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ei9
RMSD bond length	0.014
RMSD bond angle	1.595
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.131	0.866
Rmeas	0.144	0.961
Rpim	0.060	0.408
Number of reflections	45813	1724
<I/σ(I)>	11.4	2.4
Completeness [%]	96.0	68.7
Redundancy	11.2	10.1
CC(1/2)	0.994	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	283	2.0M sodium acetate, 10mM ammonium sulfate, 1% Jeffamine M600,