6L7X
Crystal structure of Cet1 from Trypanosoma cruzi in complex with #951 ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-22 |
Detector | DECTRIS EIGER2 X 4M |
Wavelength(s) | 1.10000 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 114.673, 114.673, 56.666 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.650 - 2.390 |
R-factor | 0.2056 |
Rwork | 0.204 |
R-free | 0.23820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6l7v |
RMSD bond length | 0.003 |
RMSD bond angle | 0.698 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.650 | 2.480 |
High resolution limit [Å] | 2.390 | 2.390 |
Rmerge | 0.101 | 1.860 |
Rmeas | 0.106 | 1.953 |
Number of reflections | 17359 | 1792 |
<I/σ(I)> | 14.8 | 1.7 |
Completeness [%] | 99.9 | |
Redundancy | 4.9 | |
CC(1/2) | 0.999 | 0.776 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | HEPES-NaOH (pH 7.5), ammonium sulfate |