3QV4
Crystal structure of the complex of peptidoglycan recognition protein (PGRP-S) with dipeptide L-ALA D-GLU at 2.7 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 | 2010-10-21 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 89.087, 101.148, 163.690 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.020 - 2.700 |
| R-factor | 0.21 |
| Rwork | 0.210 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c2x |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.800 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.020 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 20422 | |
| <I/σ(I)> | 2.6 | |
| Completeness [%] | 99.3 | 93.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | 0.2M SODIUM POTASSIUM TARTRATE, 10% PEG 3350, pH 7.2 , VAPOR DIFFUSION, HANGING DROP, temperature 298K |
