5UDK

IFIT1 monomeric mutant (L457E/L464E) with PPP-AAAA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	94
Detector technology	CCD
Collection date	2016-01-17
Detector	RAYONIX MX300HE
Wavelength(s)	0.979
Spacegroup name	P 42 2 2
Unit cell lengths	112.432, 112.432, 93.172
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.249 - 1.650
R-factor	0.165
Rwork	0.164
R-free	0.18420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.166
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.10_2142)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.680
High resolution limit [Å]	1.650	4.480	1.650
Rmerge	0.086	0.044
Number of reflections	71944
<I/σ(I)>	30.3
Completeness [%]	99.7	99.7	95.2
Redundancy	14.2	13.8	9.4
CC(1/2)		0.999	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.1	277.15	27 - 32 % PEG 200, 0.1 M Tris pH 8.1, 200 mM CaCl2