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 |
