3UIL
Crystal Structure of the complex of PGRP-S with lauric acid at 2.2 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 | 2011-10-30 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 89.000, 101.610, 163.390 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 86.290 - 2.200 |
| R-factor | 0.2324 |
| Rwork | 0.227 |
| R-free | 0.25860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c2x |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.886 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.300 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 33252 | |
| <I/σ(I)> | 9.8 | 3.5 |
| Completeness [%] | 92.2 | 92.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | 10% PEG 3350, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
