6VA5

Tudor Domain of Tumor suppressor p53BP1 with MFP-4184

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	42.678, 44.822, 65.542
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.000 - 1.280
R-factor	0.1743
Rwork	0.174
R-free	0.18490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rg2
RMSD bond length	0.009
RMSD bond angle	1.396
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.300
High resolution limit [Å]	1.280	3.470	1.280
Rmerge	0.101	0.055	0.818
Rmeas	0.110	0.060	0.919
Rpim	0.042	0.024	0.409
Total number of observations	214888
Number of reflections	33389	1829	1646
<I/σ(I)>	6.2
Completeness [%]	99.9	99.9	99.9
Redundancy	6.4	6.4	4.6
CC(1/2)		0.997	0.693

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