5DAB
Crystal structure of FTO-IN115
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-08-01 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1 |
Spacegroup name | H 3 |
Unit cell lengths | 142.681, 142.681, 81.998 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.908 - 2.100 |
R-factor | 0.2116 |
Rwork | 0.210 |
R-free | 0.24090 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.806 |
Data reduction software | PHENIX |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (dev_596) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.100 |
Number of reflections | 35070 |
<I/σ(I)> | 30.1 |
Completeness [%] | 96.7 |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 10%(w/v) polyethylene glycol (PEG) 3350, 0.1 M trisodium citrate dehydrate, 3.0 mM N-oxalylglycine (NOG) |