5VIX

Crystal structure of Polyubiquitin with 3 ub domains, domains 1 and 2, from Naegleria fowleri ATCC 30863

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-12
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	34.020, 67.710, 35.830
Unit cell angles	90.00, 114.49, 90.00

Refinement procedure

Resolution	32.608 - 1.550
R-factor	0.1739
Rwork	0.171
R-free	0.20410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5h07
RMSD bond length	0.007
RMSD bond angle	0.937
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.608	50.000	1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmerge	0.054	0.037	0.567
Rmeas	0.061	0.044	0.653
Number of reflections	21353	247	1549
<I/σ(I)>	14	30.46	2.31
Completeness [%]	99.2	96.9	99.7
Redundancy	4.16	3.842	4.056
CC(1/2)	0.998	0.995	0.873

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	Rigaku Reagents JCSG+ C3: 200mM Ammonium nitrate, 20% PEG 3350: NafoA.19251.a.B1.PS38167 at 20mg/ml: cryo: 20% EG: tray 288541C3: puck FIQ0-2.