1AYZ

CRYSTAL STRUCTURE OF THE SACCHAROMYCES CEREVISIAE UBIQUITIN-CONJUGATING ENZYME RAD6 (UBC2) AT 2.6A RESOLUTION

Experimental procedure

Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-06
Detector	MARRESEARCH
Spacegroup name	I 2 2 2
Unit cell lengths	113.750, 146.360, 109.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.600
R-factor	0.213
Rwork	0.213
R-free	0.24600
Structure solution method	SIR AND MOL REP TO PERFORM THREE-FOLD AVERAGING OF SIR MAP
Starting model (for MR)	1AAK
RMSD bond length	0.008
RMSD bond angle	24.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.070 *	0.269 *
Total number of observations	76204 *
Number of reflections	26012
<I/σ(I)>	12.9	3.6
Completeness [%]	91.3	66.9
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	5		pH 5.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	12 (%(w/w))
2	1	reservoir	MES	50 (mM)	pH5.0
3	1	reservoir	spermine tetrahydrochloride	1 (%(w/v))
4	1	drop	protein	30 (mM)