7NT0

Drosophila PGRP-LB Y78F mutant in complex with tracheal cytotoxin (TCT)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.969
Spacegroup name	P 1
Unit cell lengths	38.587, 52.167, 55.579
Unit cell angles	92.11, 105.12, 111.51

Refinement procedure

Resolution	53.067 - 1.800
Rwork	0.145
R-free	0.17980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oht
RMSD bond length	0.013
RMSD bond angle	1.684
Data reduction software	Aimless (0.7.4)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	53.070	53.070	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.084	0.045	0.478
Rmeas	0.098	0.052	0.560
Rpim	0.050	0.026	0.289
Number of reflections	34852	287	2038
<I/σ(I)>	11.9
Completeness [%]	97.7
Redundancy	6.9	7.1	6.8
CC(1/2)	0.998	0.997	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	30% v/v 2-Propanol, 100 mM Tris base HCl pH 8.5, 30% w/v PEG 3350