7D9Y

DNA binding domain of human DNA Ligase IV mutant - A3V

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-22
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97925
Spacegroup name	F 41 3 2
Unit cell lengths	204.619, 204.619, 204.619
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.380 - 2.760
R-factor	0.2361
Rwork	0.234
R-free	0.27570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7d9k
RMSD bond length	0.005
RMSD bond angle	0.763
Data reduction software	iMOSFLM (7.2.2)
Data scaling software	Aimless (0.7.2)
Phasing software	MOLREP (11.6.04)
Refinement software	PHENIX (1.11.1-2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.380	39.380	2.910
High resolution limit [Å]	2.760	8.740	2.760
Rmerge	0.138	0.041	0.962
Rmeas	0.143	0.043	0.991
Rpim	0.035	0.013	0.238
Number of reflections	9928	388	1414
<I/σ(I)>	11.8
Completeness [%]	100.0	99	100
Redundancy	16.6	12.5	17
CC(1/2)	0.998	0.998	0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277.15	0.125 M Tris pH 8.0, 20 % SOKALAN CP 42, 7.5% Methanol