6MXY

Structure of 53BP1 tandem Tudor domains in complex with small molecule UNC3351

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-03
Detector	ADSC QUANTUM 210
Wavelength(s)	0.6299
Spacegroup name	P 31 2 1
Unit cell lengths	60.570, 60.570, 138.220
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	18.480 - 1.624
R-factor	0.1807
Rwork	0.179
R-free	0.21280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g3r
RMSD bond length	0.019
RMSD bond angle	1.463
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.480	1.682
High resolution limit [Å]	1.624	1.624
Rmerge	0.074	0.741
Rmeas	0.077	0.792
Rpim	0.022	0.275
Number of reflections	37788	3659
<I/σ(I)>	30.61	2.7
Completeness [%]	99.7	97.97
Redundancy	11.2	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	295	0.1 M sodium citrate tribasic, pH 5.6; 1M ammonium phosphate monobasic