6KPT

Crystal Structure of Acyl-CoA Dehydrogenase FadE5 from Mycobacteria smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9748
Spacegroup name	P 2 21 21
Unit cell lengths	74.202, 97.825, 205.295
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.793 - 1.963
R-factor	0.1532
Rwork	0.151
R-free	0.18970
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.398
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.970
High resolution limit [Å]	1.940	5.260	1.940
Rmerge	0.106	0.054	0.412
Rmeas	0.118	0.060	0.461
Rpim	0.050	0.026	0.204
Total number of observations	571513
Number of reflections	106041	5661	5220
<I/σ(I)>	7.8
Completeness [%]	100.0	99.8	99.9
Redundancy	5.4	5.2	4.9
CC(1/2)		0.995	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		289	2M (NH4)2 SO4, 2%(v/v) PEG400, 0.1 M Acetate pH 5.5