3UBT

Crystal Structure of C71S Mutant of DNA Cytosine-5 Methyltransferase M.HaeIII Bound to DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Collection date	2008-11-13
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	57.564, 129.588, 132.381
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.981 - 2.502
R-factor	0.1841
Rwork	0.182
R-free	0.22120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.642
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	17.000	17.000	2.600
High resolution limit [Å]	2.500	5.340	2.500
Rmerge	0.122	0.068	0.370
Number of reflections	31721	3346	2679
<I/σ(I)>	7.93	11.05	3.41
Completeness [%]	90.4	87.5	70.4
Redundancy	3.4	3.19	2.46

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	26-27% (v/v) pentaerythritol ethoxylate (15/4 EO/OH), 100 mM ammonium sulfate, 50 mM Bis-Tris pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K