6D4P

Ube2D1 in complex with ubiquitin variant Ubv.D1.1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	51.120, 52.565, 96.748
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.370 - 2.110
R-factor	0.2151
Rwork	0.214
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ptf
RMSD bond length	0.002
RMSD bond angle	0.599
Data reduction software	DENZO
Data scaling software	HKL-2000 (2.3.12)
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX (phenix.refine: 1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.104	0.050	1.000
Rmeas	0.112	0.054	1.000
Rpim	0.047	0.021	0.573
Number of reflections	15572	1694	1498
<I/σ(I)>	30.2		1.46
Completeness [%]	99.9	99.9	99.6
Redundancy	7.2	6.8	6.7
CC(1/2)		0.998	0.610

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	24% PEG2000-MME, 0.2M trimethylamine N-oxide, 0.1M Tris-HCl