7SFP

Crystal structure of OssO, a spirocyclase involved in the biosynthesis of ossamycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-25
Detector	DECTRIS PILATUS3 R 100K-A
Wavelength(s)	0.979500
Spacegroup name	P 65 2 2
Unit cell lengths	53.953, 53.953, 245.110
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.725 - 2.200
R-factor	0.2217
Rwork	0.219
R-free	0.27280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7sfn
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	PHENIX (18.1.3875)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.020	49.020	2.270
High resolution limit [Å]	2.200	9.070	2.200
Rmerge	0.123	0.035	3.211
Rmeas	0.124	0.035	3.242
Rpim	0.018	0.006	0.441
Total number of observations	586280	7900	52612
Number of reflections	11716	240	990
<I/σ(I)>	25	85.8	1.5
Completeness [%]	100.0	99.9	99.9
Redundancy	50	32.9	53.1
CC(1/2)	1.000	1.000	0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	20 %w/v PEG 8K, 0.1 M 0.2 M MgCl2