3USX
Crystal structure of PGRP-S complexed with Myristic Acid at 2.28 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 | 2011-10-05 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 89.629, 101.406, 163.069 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.910 - 2.280 |
R-factor | 0.224 |
Rwork | 0.224 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c2x |
RMSD bond length | 0.016 |
RMSD bond angle | 2.000 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.910 | 2.360 |
High resolution limit [Å] | 2.280 | 2.280 |
Number of reflections | 34139 | |
<I/σ(I)> | 14.7 | 5.5 |
Completeness [%] | 99.6 | 99.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 20% glycerol, 6% PEG3350, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |