3A7U

Crystal structure of the bovine lipoyltransferase in its unliganded form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Detector	Bruker DIP-6040
Wavelength(s)	0.9000
Spacegroup name	P 61 2 2
Unit cell lengths	91.175, 91.175, 232.204
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 3.440
R-factor	0.24779
Rwork	0.242
R-free	0.31839
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2e5a
RMSD bond length	0.006
RMSD bond angle	0.863
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.510
High resolution limit [Å]	3.440	3.450
Rmerge	0.096	0.451
Number of reflections	8169
<I/σ(I)>	44	6.5
Completeness [%]	100.0	100
Redundancy	13.5	14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			VAPOR DIFFUSION, HANGING DROP