4RG2

Tudor Domain of Tumor suppressor p53BP1 with small molecule ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	C 2 2 21
Unit cell lengths	73.548, 100.458, 83.348
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.500
R-factor	0.1977
Rwork	0.197
R-free	0.22010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g3r
RMSD bond length	0.009
RMSD bond angle	1.339
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.049	0.031	0.670
Number of reflections	48740
<I/σ(I)>	9.9
Completeness [%]	98.1	98.6	82.9
Redundancy	7.8	7.5	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	19% PEG3350, 0.15 M DL-malic acid, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K