3KYD

Human SUMO E1~SUMO1-AMP tetrahedral intermediate mimic

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-27
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9790
Spacegroup name	P 21 21 2
Unit cell lengths	101.717, 115.608, 90.837
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.610
R-factor	0.23
Rwork	0.227
R-free	0.28400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y8q
RMSD bond length	0.006
RMSD bond angle	0.897
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0093)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.670
High resolution limit [Å]	2.600	2.600
Rmerge	0.074	0.367
Number of reflections	33019
<I/σ(I)>	15.8	2.7
Completeness [%]	99.0	96.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		279	22% PEG 2000 MME, 0.2 M di-ammonium tartrate, 3% EtGly, VAPOR DIFFUSION, HANGING DROP, temperature 279K
1	VAPOR DIFFUSION, HANGING DROP		279	22% PEG 2000 MME, 0.2 M di-ammonium tartrate, 3% EtGly, VAPOR DIFFUSION, HANGING DROP, temperature 279K
1	VAPOR DIFFUSION, HANGING DROP		279	22% PEG 2000 MME, 0.2 M di-ammonium tartrate, 3% EtGly, VAPOR DIFFUSION, HANGING DROP, temperature 279K