3EXA

Crystal structure of the full-length tRNA isopentenylpyrophosphate transferase (BH2366) from Bacillus halodurans, Northeast Structural Genomics Consortium target BhR41.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-10
Detector	MAR CCD 165 mm
Spacegroup name	P 1
Unit cell lengths	51.805, 73.824, 95.561
Unit cell angles	89.99, 93.73, 90.02

Refinement procedure

Resolution	19.960 - 2.300
R-factor	0.22
Rwork	0.220
R-free	0.26300
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.100
Data reduction software	DENZO
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]	29.900	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.040	0.088
Number of reflections	89734
<I/σ(I)>	15.6	5.3
Completeness [%]	70.7	55.1
Redundancy	1.5	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	Protein solution: 10 mM Tris-HCl pH (7.5), 100 mM NaCl, 5 mM DTT, and 0.025% (w/v) NaN3. Reservoir solution: 16% PEG 3350 and 200 mM Ammonium tartrate, VAPOR DIFFUSION, HANGING DROP, temperature 291K