6U7T

MutY adenine glycosylase bound to DNA containing a transition state analog (1N) paired with d(8-oxo-G)

Replaces:  5DPKReplaces:  3FSQ

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	2008-04-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1158
Spacegroup name	P 21 21 21
Unit cell lengths	37.800, 86.490, 140.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.334 - 2.000
R-factor	0.2618
Rwork	0.261
R-free	0.27020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rrq
RMSD bond length	0.005
RMSD bond angle	0.735
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.15rc2_3428)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.334	41.334	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.083	0.024	1.008
Rmeas	0.090	0.026	1.243
Total number of observations	196963
Number of reflections	30197	423	1513
<I/σ(I)>	15.5	48.93	0.98
Completeness [%]	94.1	98.8	64.9
Redundancy	6.523	5.589	2.641
CC(1/2)	0.999	0.999	0.368

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	MICRO-SEEDED, 0.5 M CALCIUM ACETATE, 0.1 M TRIS, 14% W/V PEG4000, 0.005 M BETA-MERCAPTOETHANOL, 5% W/V ETHYLENE GLYCOL