6Q00

TDP2 UBA Domain Bound to Ubiquitin at 0.85 Angstroms Resolution, Crystal Form 1

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	2015-04-25
Detector	RAYONIX MX300-HS
Wavelength(s)	0.8266
Spacegroup name	P 41
Unit cell lengths	48.742, 48.742, 50.421
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.453 - 0.850
R-factor	0.0958
Rwork	0.095
R-free	0.11180
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.469
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	0.860
High resolution limit [Å]	0.850	2.310	0.850
Rmerge	0.048	0.042
Rmeas	0.049	0.043
Rpim	0.009	0.008	0.443
Number of reflections	202939	5282	5067
<I/σ(I)>	15.3
Completeness [%]	99.6	100	97.8
Redundancy	16.1	34.3	8.6
CC(1/2)		1.000	0.574

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	278	10 mM Tris, 200 mM Potassium Formate, 14% (w/v) PEG 3350