8A0K
crystal structure of the kinetoplastid kinetochore protein Trypanosoma brucei KKT3 Divergent Polo-Box domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-08-10 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0072 |
Spacegroup name | P 1 |
Unit cell lengths | 44.998, 52.485, 102.152 |
Unit cell angles | 84.11, 84.42, 73.25 |
Refinement procedure
Resolution | 50.680 - 2.920 |
R-factor | 0.2515 |
Rwork | 0.250 |
R-free | 0.27120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | partial Se-Met model |
RMSD bond length | 0.008 |
RMSD bond angle | 1.040 |
Data reduction software | DIALS |
Data scaling software | Aimless (0.5.26) |
Phasing software | PHASER (2.8.3) |
Refinement software | BUSTER (2.10.4 (20-OCT-2021)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.680 | 50.680 | 3.000 |
High resolution limit [Å] | 2.920 | 13.060 | 2.920 |
Rmerge | 0.155 | 0.106 | 1.022 |
Rmeas | 0.184 | 0.125 | 1.213 |
Rpim | 0.098 | 0.066 | 0.643 |
Total number of observations | 65155 | 731 | 4756 |
Number of reflections | 19067 | 212 | 1382 |
<I/σ(I)> | 5.1 | 10.1 | 1.4 |
Completeness [%] | 99.0 | 99.1 | 98.4 |
Redundancy | 3.4 | 3.4 | 3.4 |
CC(1/2) | 0.976 | 0.968 | 0.530 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 25% PEG3350, 0.1 M Bis-Tris pH 5.5 and 0.1 M tri-sodium acetate pH 4.5 |