4HDV

Crystal structure of S. pombe ATL1 in complex with damaged DNA containing 2,6-diaminopurine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-21
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97945
Spacegroup name	P 61 2 2
Unit cell lengths	59.505, 59.505, 237.350
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.181 - 2.702
R-factor	0.218
Rwork	0.216
R-free	0.25190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gva
RMSD bond length	0.004
RMSD bond angle	0.632
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.1_357))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.056	0.405
Number of reflections	7480
<I/σ(I)>	74.4	9.6
Completeness [%]	99.9	100
Redundancy	26.2	27.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	288	20% mPEG2000, 0.5 M sodium formate, 200 mM imidazole-malate, 30% xylose, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 288K