6U1V

Crystal structure of acyl-ACP/acyl-CoA dehydrogenase from allylmalonyl-CoA and FK506 biosynthesis, TcsD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	69.520, 100.060, 148.510
Unit cell angles	90.00, 100.31, 90.00

Refinement procedure

Resolution	68.400 - 1.750
R-factor	0.1478
Rwork	0.146
R-free	0.17870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ukw
RMSD bond length	0.012
RMSD bond angle	1.044
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.400	1.813
High resolution limit [Å]	1.750	1.750
Rmerge	0.112	1.063
Rmeas	0.128
Rpim	0.061	0.566
Number of reflections	196484	19281
<I/σ(I)>	8.99	1.39
Completeness [%]	97.7	96.41
Redundancy	4.3	4.4
CC(1/2)	0.997	0.524

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	298	0.1 M sodium citrate tribasic dihydrate, pH 5.0, 10% PEG6000