3C8V

Crystal structure of putative acetyltransferase (YP_390128.1) from Desulfovibrio desulfuricans G20 at 2.28 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-09-15
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000, 0.9795, 0.9797
Spacegroup name	H 3
Unit cell lengths	249.617, 249.617, 104.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.057 - 2.280
R-factor	0.182
Rwork	0.180
R-free	0.22300
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.478
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.057	48.057	2.360
High resolution limit [Å]	2.280	4.890	2.280
Rmerge	0.054	0.022	0.446
Number of reflections	105055	10985	7352
<I/σ(I)>	13.25	34.5	2.1
Completeness [%]	94.6	97.6	67.6
Redundancy	2.75		2.09

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	277	NANODROP, 0.2M K Formate, 20.0% PEG 3350, No Buffer pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K