6Z1Y
Crystal structure of type-I ribosome-inactivating protein trichobakin (TBK)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | KURCHATOV SNC BEAMLINE K4.4 |
| Synchrotron site | KURCHATOV SNC |
| Beamline | K4.4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-02-12 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.79475 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.720, 73.730, 88.070 |
| Unit cell angles | 90.00, 96.85, 90.00 |
Refinement procedure
| Resolution | 39.410 - 2.000 |
| R-factor | 0.1748 |
| Rwork | 0.172 |
| R-free | 0.22650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jjr |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.862 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.410 | 39.410 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
| Rmerge | 0.200 | 0.053 | 0.700 |
| Rmeas | 0.219 | 0.058 | 0.764 |
| Rpim | 0.087 | 0.023 | 0.302 |
| Total number of observations | 4104 | 26602 | |
| Number of reflections | 61634 | 732 | 4514 |
| <I/σ(I)> | 6.4 | 13.3 | 2.2 |
| Completeness [%] | 99.8 | 99 | 98.9 |
| Redundancy | 6 | 5.6 | 5.9 |
| CC(1/2) | 0.992 | 0.998 | 0.846 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 8mM sodium citrate pH 5.0, 10% KCl. |
