7XFW
Crystal structure of the ternary complex of Peptidoglycan recognition protein, PGRP-S with hexanoic and tartaric acids at 2.07 A resolution.
Replaces: 6J3WExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-07 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.97 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 88.889, 101.508, 162.996 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.358 - 2.070 |
Rwork | 0.200 |
R-free | 0.25760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5dwf |
RMSD bond length | 0.008 |
RMSD bond angle | 1.498 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.360 | 2.120 |
High resolution limit [Å] | 2.070 | 2.070 |
Rpim | 0.041 | 0.433 |
Number of reflections | 45175 | 1297 |
<I/σ(I)> | 8.13 | 1.9 |
Completeness [%] | 99.8 | 99.79 |
Redundancy | 6.94 | 6 |
CC(1/2) | 0.990 | 0.869 |
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 |