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 |
