5XGY
Crystal structure of peptidoglycan recognition protein (PGRP-S) at 2.45 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-09-21 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 89.788, 101.796, 164.144 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 86.510 - 2.450 |
| R-factor | 0.23661 |
| Rwork | 0.234 |
| R-free | 0.29361 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4q8s |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.538 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.510 | 2.540 |
| High resolution limit [Å] | 2.450 | 2.500 |
| Number of reflections | 26675 | |
| <I/σ(I)> | 6.74 | 1.315 |
| Completeness [%] | 94.0 | |
| Redundancy | 4.1 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 290 | 0.3M NaKTartrate, 25% PEG, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
