6A89
Crystal structure of the ternary complex of peptidoglycan recognition protein (PGRP-S) with Tartaric acid, Ribose and 2,6-DIAMINOPIMELIC ACID at 2.11 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2018-05-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 89.500, 101.370, 163.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 86.090 - 2.110 |
| R-factor | 0.19365 |
| Rwork | 0.191 |
| R-free | 0.24884 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4q8s |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.766 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.090 | 2.170 |
| High resolution limit [Å] | 2.110 | 2.110 |
| Rmerge | 0.090 | 0.740 |
| Rmeas | 0.100 | 0.810 |
| Number of reflections | 42613 | |
| <I/σ(I)> | 3.05 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.6 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 10% PEG 3350, 0.2M Sodium potassium tartarate |
