5QQ8
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000563a
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 | 57.781, 57.781, 396.935 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 66.160 - 1.620 |
| R-factor | 0.1996 |
| Rwork | 0.198 |
| R-free | 0.23510 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1yhk |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.095 |
| 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] | 132.370 | 132.370 | 1.660 |
| High resolution limit [Å] | 1.620 | 7.240 | 1.620 |
| Rmerge | 0.136 | 0.046 | 2.343 |
| Rmeas | 0.140 | 0.047 | 2.426 |
| Rpim | 0.033 | 0.012 | 0.624 |
| Total number of observations | 917296 | 10990 | 55606 |
| Number of reflections | 52032 | ||
| <I/σ(I)> | 10.8 | 28 | 1.1 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 17.6 | 14.2 | 14.9 |
| CC(1/2) | 0.999 | 0.999 | 0.536 |
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 |
