3ME5

Crystal structure of putative dna cytosine methylase from shigella flexneri 2a str. 2457T

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	P 21 21 2
Unit cell lengths	149.629, 51.593, 63.026
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.750
R-factor	0.222
Rwork	0.220
R-free	0.26100
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.277
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.780
High resolution limit [Å]	1.750	4.750	1.750
Rmerge	0.079	0.052	0.936
Number of reflections	50037
<I/σ(I)>	13.8
Completeness [%]	99.9	97.6	100
Redundancy	11.6	9.8	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1M Bis-Tris pH 6.5, 25% PEG 3350, 200mM Ammonium Sulfate , VAPOR DIFFUSION, HANGING DROP, temperature 298K