9ZSV

Flavophos biosynthetic protein BsfD with CoA and OBPn (48 h)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-24
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.97857
Spacegroup name	P 21 21 2
Unit cell lengths	86.924, 109.684, 72.521
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.810
R-factor	0.18185
Rwork	0.181
R-free	0.20284
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.108
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.428	1.837
High resolution limit [Å]	1.806	1.806
Rmerge	0.099	1.242
Rmeas	0.106	1.296
Number of reflections	64356	3173
<I/σ(I)>	8.82
Completeness [%]	100.0
Redundancy	14.5
CC(1/2)	0.999	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		287	28% PEG 4000 100 mM calcium acetate 100 mM sodium acetate (pH=4.5)