3C3P

Crystal structure of a methyltransferase (NP_951602.1) from Geobacter sulfurreducens at 1.90 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-20
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.00000
Spacegroup name	C 1 2 1
Unit cell lengths	156.880, 76.044, 85.173
Unit cell angles	90.00, 118.27, 90.00

Refinement procedure

Resolution	28.318 - 1.900
R-factor	0.201
Rwork	0.199
R-free	0.23200
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.867
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.318	28.318	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.056	0.030	0.507
Total number of observations		2367	19337
Number of reflections	69499
<I/σ(I)>	7.8	22.4	1.3
Completeness [%]	99.9	88.2	100
Redundancy	3.8	3.3	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.3	277	NANODROP, 0.2M Sodium chloride, 18.0% PEG 8000, 0.1M CAPS pH 10.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K
2	VAPOR DIFFUSION, SITTING DROP	10.5	277	NANODROP, 0.2M Sodium chloride, 20.0% PEG 8000, 0.1M CAPS pH 10.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K