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 |