4ENM

Crystal structure of S. pombe Atl1 in complex with damaged DNA containing O6-benzylguanine

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	2008-07-25
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97945
Spacegroup name	P 61 2 2
Unit cell lengths	59.900, 59.900, 237.051
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.033 - 2.840
R-factor	0.1812
Rwork	0.173
R-free	0.25260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gva
RMSD bond length	0.008
RMSD bond angle	1.275
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	2.940
High resolution limit [Å]	2.840	2.840
Number of reflections	6178
Completeness [%]	93.0	61.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	288	15% mPEG 2000, 0.2M imidazole-malate, 30% xylose, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 288K