5HPL

System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: Rsp5 and UbV R5.4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	72.486, 92.352, 82.161
Unit cell angles	90.00, 101.60, 90.00

Refinement procedure

Resolution	80.482 - 2.310
R-factor	0.1944
Rwork	0.191
R-free	0.25380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nd7
RMSD bond length	0.009
RMSD bond angle	1.130
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.482	2.393
High resolution limit [Å]	2.310	2.310
Rmerge	0.134
Number of reflections	45796
<I/σ(I)>	7.72	1.41
Completeness [%]	98.2	98.58
Redundancy	3.3	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	Bis-Tris 0.1M, pH 5.5 ammonium acetate 0.2 M, PEG 3350 14%