4ENN

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-28
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1158
Spacegroup name	P 41 21 2
Unit cell lengths	85.154, 85.154, 150.715
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.269 - 2.845
R-factor	0.2238
Rwork	0.217
R-free	0.27830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gva
RMSD bond length	0.010
RMSD bond angle	1.802
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	2.950
High resolution limit [Å]	2.845	2.845
Number of reflections	13069
Completeness [%]	95.6	77

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	288	20% mPEG 2000, 5% sodium formate, 25% sodium chloride, 0.2M imidazole-malate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 288K