3JVN

Crystal Structure of the acetyltransferase VF_1542 from Vibrio fischeri, Northeast Structural Genomics Consortium Target VfR136

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-09-03
Detector	MAR CCD 165 mm
Wavelength(s)	0.9791
Spacegroup name	C 2 2 21
Unit cell lengths	45.714, 105.332, 73.872
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.130 - 2.610
R-factor	0.334
Rwork	0.233
R-free	0.27300
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.100
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SnB (then SOLVE/RESOLVE)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.048	0.082
Number of reflections	8101
<I/σ(I)>	24.93	7.97
Completeness [%]	76.8	52.3
Redundancy	3.6	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	microbatch, under oil	5.5	277	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5). Reservoir solution: 0.1M Bis Tris (pH 5.5), 1% PEG 3350, and 0.1M ammonium sulfate, microbatch, under oil, temperature 277K