5QQ6
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000530a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-10-08 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 57.819, 57.819, 396.678 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 66.110 - 1.940 |
| R-factor | 0.2037 |
| Rwork | 0.201 |
| R-free | 0.24870 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1yhk |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.727 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 198.300 | 198.300 | 1.990 |
| High resolution limit [Å] | 1.940 | 8.680 | 1.940 |
| Rmerge | 0.332 | 0.052 | 4.033 |
| Rmeas | 0.342 | 0.054 | 4.142 |
| Rpim | 0.079 | 0.014 | 0.937 |
| Total number of observations | 564205 | 7026 | 42357 |
| Number of reflections | 30877 | ||
| <I/σ(I)> | 8 | 23.4 | 1.2 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 18.3 | 14.1 | 19.3 |
| CC(1/2) | 0.996 | 1.000 | 0.511 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 80 mM MES, 4 mM ZnSO4, 12.36% w/v PEG MME 550, 11.57% v/v glycerol |
