4HTP

Crystal structure of the DBD domain of human DNA ligase IV bound to Artemis peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	90
Detector technology	CCD
Collection date	2010-03-09
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9394
Spacegroup name	P 21 21 21
Unit cell lengths	61.210, 72.830, 158.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.073 - 2.250
R-factor	0.1989
Rwork	0.196
R-free	0.24940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hto
RMSD bond length	0.008
RMSD bond angle	1.067
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.330
High resolution limit [Å]	2.250	4.840	2.250
Rmerge	0.115	0.055	0.663
Number of reflections	24874
<I/σ(I)>	31.6	85.1	2.3
Completeness [%]	91.8	99	69.2
Redundancy	12.4	13.3	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293.15	18% PEG 1000, 200 mM Tris-HCl pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K