5O0W
Crystal structure of the complex between Nb474 and Trypanosoma congolense fructose-1,6-bisphosphate aldolase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-18 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 120.820, 188.870, 126.780 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.226 - 2.570 |
R-factor | 0.1938 |
Rwork | 0.192 |
R-free | 0.22210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f2j |
RMSD bond length | 0.003 |
RMSD bond angle | 0.653 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.226 | 2.660 |
High resolution limit [Å] | 2.570 | 2.570 |
Rmeas | 0.180 | 1.496 |
Number of reflections | 92520 | 9072 |
<I/σ(I)> | 11.25 | 1.39 |
Completeness [%] | 99.6 | 99.15 |
Redundancy | 6.88 | 7.11 |
CC(1/2) | 0.995 | 0.498 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100 mM sodium cacodylate pH 6.5, 200 mM magnesium acetate, 10% PEG 8000 |