7D9K

DNA binding domain of human DNA Ligase IV - Wild type

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	2018-11-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97927
Spacegroup name	F 41 3 2
Unit cell lengths	202.869, 202.869, 202.869
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.040 - 2.900
R-factor	0.2584
Rwork	0.256
R-free	0.29880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hto
RMSD bond length	0.003
RMSD bond angle	0.567
Data reduction software	MOSFLM (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]	39.042	39.040	3.080
High resolution limit [Å]	2.900	8.700	2.900
Rmerge	0.349	0.130	1.335
Rmeas	0.362	0.138	1.378
Rpim	0.092	0.042	0.341
Number of reflections	8410	381	1313
<I/σ(I)>	5.8
Completeness [%]	99.9	99	100
Redundancy	15.7	11	16.2
CC(1/2)	0.948	0.916	0.706

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277.15	0.1 M Tris pH 8.0, 20 % SOKALAN CP 42, 5% Methanol