5VI0

Pseudomonas fluorescens alkylpurine DNA glycosylase AlkC bound to DNA containing an abasic site analog

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	294
Detector technology	CCD
Collection date	2015-04-25
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	80.636, 94.935, 134.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.424 - 2.396
R-factor	0.1707
Rwork	0.168
R-free	0.22500
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.967
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.396	5.170	2.400
Rmerge	0.109	0.053	0.429
Rmeas	0.115	0.056	0.452
Rpim	0.036	0.018	0.140
Number of reflections	41029	4317	4032
<I/σ(I)>	7.9
Completeness [%]	99.7	98.7	99.8
Redundancy	9.8	9.4	9.7
CC(1/2)		0.999	0.954

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	294.15	100 mM Tris-HCl, pH 8.5, 18% PEG4000, 5% glycerol