5QPK
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000586a
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 | 58.133, 58.133, 397.397 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 66.230 - 1.500 |
| R-factor | 0.2046 |
| Rwork | 0.203 |
| R-free | 0.24000 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1yhk |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.241 |
| 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] | 198.720 | 198.720 | 1.540 |
| High resolution limit [Å] | 1.500 | 6.710 | 1.500 |
| Rmerge | 0.075 | 0.057 | 2.110 |
| Rmeas | 0.077 | 0.059 | 2.206 |
| Rpim | 0.018 | 0.015 | 0.637 |
| Total number of observations | 1102591 | 13831 | 56454 |
| Number of reflections | 65934 | ||
| <I/σ(I)> | 16.8 | 45.8 | 1.3 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 16.7 | 14.1 | 11.9 |
| CC(1/2) | 0.999 | 0.998 | 0.524 |
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 |
