5AYR

The crystal structure of SAUGI/human UDG complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97622
Spacegroup name	C 1 2 1
Unit cell lengths	177.831, 52.853, 82.338
Unit cell angles	90.00, 112.36, 90.00

Refinement procedure

Resolution	30.927 - 2.400
R-factor	0.16691
Rwork	0.165
R-free	0.19767
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1akz 3wdg
RMSD bond length	0.009
RMSD bond angle	1.463
Data reduction software	Blu-Ice
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	26778
<I/σ(I)>	14	1.7
Completeness [%]	96.1	97.7
Redundancy	3.1	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Tris HCl pH8.5, 0.2 M MgCl2 6H2O and 30% PEG 4000