1EUV

X-RAY STRUCTURE OF THE C-TERMINAL ULP1 PROTEASE DOMAIN IN COMPLEX WITH SMT3, THE YEAST ORTHOLOG OF SUMO.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	1999-10-21
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 2
Unit cell lengths	125.774, 53.167, 54.262
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.600
R-factor	0.193
Rwork	0.190
R-free	0.25100
RMSD bond length	0.013
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.043	0.290
Total number of observations	449291 *
Number of reflections	47875
<I/σ(I)>	16.4
Completeness [%]	96.6	86
Redundancy	9.4	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	221 *	0.1M MES pH6.5, 10% w/v polyethylene glycol 20000, 3% w/v 1,6-hexandiol, VAPOR DIFFUSION, HANGING DROP, temperature 294K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	MES	0.1 (M)
2	1	reservoir	PEG20000	10 (%(w/v))
3	1	reservoir	1,6-hexandiol	3 (%(w/v))