5QPG
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000291a
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 | 58.030, 58.030, 396.047 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 66.010 - 1.580 |
| R-factor | 0.2004 |
| Rwork | 0.198 |
| R-free | 0.23680 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1yhk |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.711 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 198.040 | 198.040 | 1.620 |
| High resolution limit [Å] | 1.580 | 7.070 | 1.580 |
| Rmerge | 0.095 | 0.040 | 1.845 |
| Rmeas | 0.098 | 0.042 | 1.913 |
| Rpim | 0.023 | 0.011 | 0.497 |
| Total number of observations | 972350 | 12327 | 56765 |
| Number of reflections | 54689 | ||
| <I/σ(I)> | 16.6 | 52.3 | 1.7 |
| Completeness [%] | 98.2 | 99.8 | 95.6 |
| Redundancy | 17.8 | 15.4 | 14.7 |
| CC(1/2) | 0.997 | 0.999 | 0.573 |
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 |
