2DPM

DPNM DNA ADENINE METHYLTRANSFERASE FROM STREPTOCCOCUS PNEUMONIAE COMPLEXED WITH S-ADENOSYLMETHIONINE

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-05-15
Detector	MARRESEARCH
Wavelength(s)	1.008, 1.011, 0.997, 0.968
Spacegroup name	P 21 21 21
Unit cell lengths	56.600, 68.100, 85.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.238
Rwork	0.238
R-free	0.28400
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.050 *	0.220 *
Total number of observations	207177 *
Number of reflections	30274	1979 *
<I/σ(I)>	33.4	8.7
Completeness [%]	99.9	100
Redundancy	7	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	4 *	FOR VAPOR DIFFUSION AT 4 C, HANGING DROPS CONTAINED 0.45 NM 0.9 NMOLS OF SAM, 100 MM HEPES BUFFER, PH 7.0, 250 MM NACL, 5% PEG 3350 IN 6 MICROLITERS. RESEVOIRS CONTAINED 1.0 ML OF 50.0 MM HEPES, 125 MM NACL, 2.5% PEG 3350., vapor diffusion - hanging drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	0.45 (nmol)
2	1	drop	AdoMet	0.9 (nmol)
3	1	drop	HEPES	100 (mM)
4	1	drop		250 (mM)
5	1	drop	PEG3350	5 (%(w/v))
6	1	reservoir	HEPES	50 (mM)
7	1	reservoir		125 (mM)
8	1	reservoir	PEG3350	2.5 (%)