6PBR

Catalytic domain of E.coli dihydrolipoamide succinyltransferase in I4 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92
Spacegroup name	I 4
Unit cell lengths	128.598, 128.598, 249.733
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.360 - 3.000
R-factor	0.2324
Rwork	0.230
R-free	0.27172
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1c4t
RMSD bond length	0.007
RMSD bond angle	1.539
Data reduction software	XDS
Data scaling software	Aimless (0.5.17)
Phasing software	SIMBAD (0.1.10)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.360	3.160
High resolution limit [Å]	3.000	3.000
Rmerge	0.220	1.470
Rpim	0.125	0.860
Number of reflections	33570	5050
<I/σ(I)>	3.7	0.8
Completeness [%]	82.9	85.5
Redundancy	3.7	3.6
CC(1/2)	0.980	0.340

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	50 mM Tris pH 8.0 2.6 M NaCl