5QPR
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with XST00001145b
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 | 58.204, 58.204, 397.613 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 66.360 - 1.670 |
| R-factor | 0.1778 |
| Rwork | 0.176 |
| R-free | 0.21630 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1yhk |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.946 |
| 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] | 29.370 | 29.370 | 1.710 |
| High resolution limit [Å] | 1.670 | 7.450 | 1.670 |
| Rmerge | 0.090 | 0.042 | 0.829 |
| Rmeas | 0.093 | 0.044 | 0.857 |
| Rpim | 0.022 | 0.012 | 0.216 |
| Total number of observations | 865429 | 10038 | 52136 |
| Number of reflections | 48552 | ||
| <I/σ(I)> | 18.8 | 49 | 2.2 |
| Completeness [%] | 99.8 | 98.7 | 97.2 |
| Redundancy | 17.8 | 14 | 15.2 |
| CC(1/2) | 0.998 | 0.995 | 0.859 |
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 |
