6CWZ

Crystal structure of apo SUMO E1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-13
Detector	RAYONIX MX300-HS
Wavelength(s)	1.08
Spacegroup name	P 21 21 21
Unit cell lengths	56.139, 115.378, 172.973
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.992 - 3.100
R-factor	0.2282
Rwork	0.225
R-free	0.25820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kyc
RMSD bond length	0.002
RMSD bond angle	0.439
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.210
High resolution limit [Å]	3.100	6.670	3.100
Rmerge	0.114	0.046	0.985
Rmeas	0.127	0.051	1.109
Rpim	0.054	0.022	0.498
Number of reflections	21123	2289	2005
<I/σ(I)>	4.7
Completeness [%]	99.5	99.3	96.9
Redundancy	5.4	5.1	4.7
CC(1/2)		0.997	0.645

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	288	0.2M ammonium sulfate, 0.1M Bis-Tris HCl pH 6.5, 20% PEG3350