4U0P

The Crystal Structure of Lipoyl Synthase in Complex with S-Adenosyl Homocysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-09-22
Detector	PSI PILATUS 6M
Wavelength(s)	1.7372
Spacegroup name	C 2 2 21
Unit cell lengths	71.090, 161.130, 59.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.889 - 1.623
R-factor	0.1795
Rwork	0.178
R-free	0.20690
Structure solution method	SAD
RMSD bond length	0.024
RMSD bond angle	2.190
Data reduction software	xia2
Data scaling software	SCALA
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.890	43.890	1.670
High resolution limit [Å]	1.620	7.260	1.620
Rmerge	0.047	0.022	0.757
Rpim	0.023	0.019	0.319
Total number of observations	313330	2997	22501
Number of reflections	43406
<I/σ(I)>	16.9	34.7	2.8
Completeness [%]	99.6	99	99.3
Redundancy	7.2	5.4	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	100 mM Bicine, 15% Polyethylene glycol 20,000, 3% Dextran sulfate sodium salt