2QNE

Crystal structure of putative methyltransferase (ZP_00558420.1) from Desulfitobacterium hafniense Y51 at 2.30 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	2007-02-09
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.99184
Spacegroup name	P 32 2 1
Unit cell lengths	123.863, 123.863, 122.844
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.748 - 2.300
R-factor	0.161
Rwork	0.158
R-free	0.20400
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.572
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.748	29.748	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.080	0.030	0.602
Total number of observations		5181	18600
Number of reflections	48701
<I/σ(I)>	6.9	21.2	1.3
Completeness [%]	99.9	96.1	98.7
Redundancy	8.4	8.8	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	NANODROP, 1.4M Na3Citrate, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
2	VAPOR DIFFUSION, SITTING DROP	7.5	277	NANODROP, 1.4M Na3Citrate, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K