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. |