5QPL
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000464a
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 | 2017-10-07 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 58.017, 58.017, 395.554 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 65.930 - 1.410 |
| R-factor | 0.1983 |
| Rwork | 0.197 |
| R-free | 0.22820 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1yhk |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.440 |
| 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] | 197.850 | 197.850 | 1.450 |
| High resolution limit [Å] | 1.410 | 6.310 | 1.410 |
| Rmerge | 0.095 | 0.038 | 1.992 |
| Rmeas | 0.098 | 0.040 | 2.104 |
| Rpim | 0.024 | 0.011 | 0.670 |
| Total number of observations | 1215068 | 16294 | 54207 |
| Number of reflections | 78228 | ||
| <I/σ(I)> | 13.1 | 36.4 | 1 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 15.5 | 14.3 | 9.6 |
| CC(1/2) | 0.996 | 0.988 | 0.549 |
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 |
