6UPT

Tudor Domain of Tumor suppressor p53BP1 with MFP-2706

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	I 21 3
Unit cell lengths	125.050, 125.050, 125.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.580 - 1.960
R-factor	0.2238
Rwork	0.222
R-free	0.25560
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4rg2
RMSD bond length	0.008
RMSD bond angle	1.461
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.990
High resolution limit [Å]	1.960	5.320	1.960
Rmerge	0.056	0.030	0.950
Rmeas	0.058	0.032	1.002
Rpim	0.018	0.010	0.314
Total number of observations	252961
Number of reflections	23455	1245	1142
<I/σ(I)>	8.8
Completeness [%]	100.0	100	100
Redundancy	10.8	10.1	10.1
CC(1/2)		0.999	0.729

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	2M ammonium sulfate, 0.1 M HEPES pH 7.5, 2% PEG 400