6O82

S. pombe ubiquitin E1 complex with a ubiquitin-AMP mimic

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	2010-12-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 21 21 2
Unit cell lengths	182.061, 114.616, 125.967
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.388 - 2.604
R-factor	0.1985
Rwork	0.197
R-free	0.23030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cmm
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.14_3211)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.390	2.700
High resolution limit [Å]	2.600	2.600
Rmerge	0.101	0.597
Rmeas	0.109	0.645
Rpim	0.041	0.242
Number of reflections	81217	7917
<I/σ(I)>	12.8
Completeness [%]	99.8	98.7
Redundancy	7	7
CC(1/2)	0.997	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	20% PEG 3350, 0.15 M MgSO4, 5 mM MgCl2, 1 mM pyrophosphate