6Q01

TDP2 UBA Domain Bound to Ubiquitin at 0.85 Angstroms Resolution, Crystal Form 2

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	2014-04-17
Detector	RAYONIX MX300-HS
Wavelength(s)	0.8211
Spacegroup name	P 21 21 21
Unit cell lengths	53.793, 65.461, 67.677
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.961 - 0.851
R-factor	0.1009
Rwork	0.100
R-free	0.11430
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.385
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	HKL-3000
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	0.081	0.075	0.852
Rmeas	0.086	0.080
Rpim	0.030	0.027	0.564
Total number of observations	1086364
Number of reflections	205551	10970	8745
<I/σ(I)>	13.3
Completeness [%]	98.5	99.9	84.5
Redundancy	5.3	10.2	3
CC(1/2)		0.996	0.501

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	20 mM TRIS pH 7.5, 100 mM NaCl, 150 mM Magnesium Formate, 200 mM Potassium Formate, 18% (w/v) PEG 3350