4OFE

Structural basis for thymine glycosylase activity on T:O6-methylG mismatch by methyl-CpG binding domain protein 4: Implications for roles of Arg468 in mismatch recognition and catalysis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97648
Spacegroup name	P 21 21 21
Unit cell lengths	41.722, 55.605, 104.245
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.390 - 2.150
R-factor	0.14506
Rwork	0.142
R-free	0.20153
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e9g
RMSD bond length	0.011
RMSD bond angle	1.237
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.150
Number of reflections	13802
Completeness [%]	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	15% PEG1500, 0.1M MES at pH of 6.5, 0.2M Na Acetate., VAPOR DIFFUSION, HANGING DROP, temperature 295K