6QML

UCHL3 in complex with synthetic, K27-linked diubiquitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-06-22
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	P 2 21 21
Unit cell lengths	70.290, 81.206, 159.858
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.300 - 2.100
R-factor	0.1866
Rwork	0.184
R-free	0.23320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ubq 1uch
RMSD bond length	0.008
RMSD bond angle	1.486
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.929	2.210
High resolution limit [Å]	2.000	2.100
Rmerge		0.990
Rmeas	0.115	0.049
Rpim	0.046	0.019
Total number of observations		11726
Number of reflections	54231	1893
<I/σ(I)>	9.8	28
Completeness [%]	99.9	100
Redundancy	6.4	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298.15	Drops set up in MRC 2 well, 96 well plate using a Mosquito crystallization robot. 100+100 nl drops. Best crystals: 21% PEG 3350 0.15M KBr 0.1M Bis-Tris pH 5.5 Crystals grow also in KCl and AmSO4 (0.2 M), or with PEG 200 MME. Crystals can be obtained at 4C as well.