6SYF

Human Ubc9 with covalent isopeptide ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-21
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	94.700, 38.700, 97.800
Unit cell angles	90.00, 118.90, 90.00

Refinement procedure

Resolution	47.000 - 1.900
R-factor	0.2153
Rwork	0.213
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f6e
RMSD bond length	0.008
RMSD bond angle	0.950
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.3 (23-SEP-2019))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.000	50.000	2.000
High resolution limit [Å]	1.900	20.000	1.900
Rmerge	0.062	0.013	0.394
Rmeas	0.074	0.016	0.473
Total number of observations	163079
Number of reflections	49319	49	6946
<I/σ(I)>	13.2	25.7	3.49
Completeness [%]	99.1	96.1	99
Redundancy	3.307	1.878	3.242
CC(1/2)	0.999	1.000	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293.15	0.1 M trisodium citrate pH 5.0, 30% PEG8000