1TWQ
Crystal structure of the C-terminal PGN-binding domain of human PGRP-Ialpha in complex with PGN analog muramyl tripeptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 173 |
Detector technology | IMAGE PLATE |
Collection date | 2004-05-04 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 104.511, 104.511, 42.050 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 26.540 - 2.300 |
R-factor | 0.2221 |
Rwork | 0.222 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sk3 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear ((MSC/RIGAKU)) |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.540 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.071 | 0.328 |
Number of reflections | 11464 | |
<I/σ(I)> | 14.8 | 4.5 |
Completeness [%] | 95.8 | 93.5 |
Redundancy | 5.43 | 5.08 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | PEG MME 2000, Nickel sulfate, Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |