6VYA

Crystal structure of NotF in complex with brevianamide F and DMSPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033
Spacegroup name	P 1
Unit cell lengths	157.893, 163.069, 167.857
Unit cell angles	78.25, 65.05, 66.40

Refinement procedure

Resolution	49.130 - 3.000
R-factor	0.2652
Rwork	0.265
R-free	0.30830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ld7
RMSD bond length	0.009
RMSD bond angle	1.168
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.130	3.100
High resolution limit [Å]	2.990	2.990
Number of reflections	274067	26465
<I/σ(I)>	7.3
Completeness [%]	97.5
Redundancy	3.5
CC(1/2)	1.000	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.9	293	11% w/v PEG 4000, 0.1 M MES pH 6.9, 0.2 M MgCl2, 1 mM brevianamide F, 1 mM dimethylallyl S-thiolodiphosphate