4Q9E
Structure of the ternary complex of peptidoglycan recognition protein, PGRP-S with N-acetyl glucosamine and paranitro benzaldehyde at 2.3 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2014-02-12 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 88.308, 101.623, 162.683 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.810 - 2.310 |
| R-factor | 0.229 |
| Rwork | 0.229 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c2x |
| RMSD bond length | 0.009 |
| RMSD bond angle | 2.000 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.810 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 25824 | |
| <I/σ(I)> | 9.8 | 2 |
| Completeness [%] | 89.2 | 88.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 20% glycerol, 6% PEG3350, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
