3CMM

Crystal Structure of the Uba1-Ubiquitin Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-04-25
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1000
Spacegroup name	P 21 21 21
Unit cell lengths	115.363, 118.564, 207.567
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.700
R-factor	0.19365
Rwork	0.191
R-free	0.24687
RMSD bond length	0.011
RMSD bond angle	1.366
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.115	0.412
Number of reflections	77706
<I/σ(I)>	7.7
Completeness [%]	98.5	86.9
Redundancy	6.5	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	298	L-proline, PEG 5000 MME, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K