3O4K
Crystal structure of the complex of peptidoglycan recognition protein (PGRP-S) and lipoteichoic acid at 2.1 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 | 2010-05-13 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 88.103, 101.490, 162.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.860 - 2.110 |
R-factor | 0.234 |
Rwork | 0.234 |
R-free | 0.26100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c2x |
RMSD bond length | 0.020 |
RMSD bond angle | 1.900 |
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] | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 40418 | |
<I/σ(I)> | 30 | 2.7 |
Completeness [%] | 94.8 | 98.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 0.2M SODIUM POTASSIUM TARTRATE, 10% PEG 3350 , pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |