7DY5
Structure of the ternary complex of peptidoglycan recognition protein-short (PGRP-S) with hexanoic acid and tartaric acid at 2.30A resolution
Replaces: 6JTEExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-18 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.97 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 89.085, 101.355, 163.022 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.680 - 2.300 |
R-factor | 0.191 |
Rwork | 0.188 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6J3W |
RMSD bond length | 0.003 |
RMSD bond angle | 0.652 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.680 | 2.390 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.110 | 0.640 |
Rpim | 0.050 | 0.320 |
Number of reflections | 25883 | 1879 |
<I/σ(I)> | 8.1 | 2.4 |
Completeness [%] | 78.0 | 58 |
Redundancy | 4.8 | 1.8 |
CC(1/2) | 0.990 | 0.870 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 10% PEG 3350, 0.2M Sodium potassium tartrate, 20% Glycerol |