5QQ1
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000699a
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 | 57.775, 57.775, 396.812 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 66.140 - 1.970 |
| R-factor | 0.2023 |
| Rwork | 0.199 |
| R-free | 0.25440 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1yhk |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.696 |
| 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] | 198.390 | 198.390 | 2.020 |
| High resolution limit [Å] | 1.970 | 8.810 | 1.970 |
| Rmerge | 0.239 | 0.057 | 3.101 |
| Rmeas | 0.246 | 0.059 | 3.187 |
| Rpim | 0.057 | 0.015 | 0.729 |
| Total number of observations | 538357 | 6763 | 39895 |
| Number of reflections | 29547 | ||
| <I/σ(I)> | 9 | 24.7 | 1.3 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 18.2 | 14.1 | 18.9 |
| CC(1/2) | 0.997 | 1.000 | 0.559 |
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 |
