4WFC

Structure of the Rrp6-Rrp47 interaction

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.873
Spacegroup name	P 41 2 2
Unit cell lengths	98.397, 98.397, 208.018
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.479 - 2.350
R-factor	0.1857
Rwork	0.184
R-free	0.22400
Structure solution method	SAD
Starting model (for MR)	The structure was solved with data from a Ta6Br14 soaked crystal at low resolution (5.2A) by SAD with SHELX and HKL2MAP using the anomalous Ta signal. Identifiable alpha-helices were manually placed and used as a starting model for SAD-MR by exploiting the anomalous Se signal from Se-Met derivatised crystal using the program Phenix Autosol. The structure was finally modelled and refined using the natived data submitted.
RMSD bond length	0.008
RMSD bond angle	1.038
Data reduction software	XDS (0.3.5)
Data scaling software	Aimless
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	88.950	88.950	2.430
High resolution limit [Å]	2.350	9.090	2.350
Rmerge		0.025
Rpim	0.043	0.008	0.562
Total number of observations	562480	9492	52231
Number of reflections	43613
<I/σ(I)>	16.6	72.5	1.6
Completeness [%]	99.8	99.8	97.8
Redundancy	12.9	10.6	12.7
CC(1/2)	0.999	1.000	0.586

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.8	293.15	1.8 M ammonium sulfate, 125 mM sodium chloride, 100 mM sodium cacodylate pH 5.8