3S6F

Crystal structure of a putative acetyltransferase (DR_1678) from Deinococcus radiodurans R1 at 1.19 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-20
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97944,0.97916
Spacegroup name	C 2 2 21
Unit cell lengths	75.168, 102.524, 51.511
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.253 - 1.190
R-factor	0.1358
Rwork	0.135
R-free	0.15040
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.833
Data reduction software	XDS
Data scaling software	XSCALE (June 12)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.253	39.253	1.220
High resolution limit [Å]	1.190	5.320	1.190
Rmerge	0.055	0.031	0.525
Number of reflections	63440	789	4623
<I/σ(I)>	15.9	51.6	2.5
Completeness [%]	99.2	98.3	98
Redundancy	3.6	3.2	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	0.2M Ca(OAc)2, 10.0% PEG-8000, 0.1M Imidazole pH 8.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K