3NG4
Ternary complex of peptidoglycan recognition protein (PGRP-S) with Maltose and N-Acetylglucosamine at 1.7 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 | 2009-07-24 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 87.128, 100.784, 161.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.730 |
| R-factor | 0.20255 |
| Rwork | 0.200 |
| R-free | 0.24441 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c2x |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.926 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.500 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 77337 | |
| <I/σ(I)> | 32.7 | 2.4 |
| Completeness [%] | 99.0 | 99 |
| Redundancy | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | 0.2M NAKTARTRATE, 10% PEG 3350, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
