5QPU
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000733a
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 | 57.982, 57.982, 395.142 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 65.860 - 1.440 |
| R-factor | 0.1971 |
| Rwork | 0.196 |
| R-free | 0.22510 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1yhk |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.422 |
| 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] | 197.640 | 197.640 | 1.480 |
| High resolution limit [Å] | 1.440 | 6.440 | 1.440 |
| Rmerge | 0.100 | 0.058 | 1.545 |
| Rmeas | 0.103 | 0.061 | 1.623 |
| Rpim | 0.025 | 0.017 | 0.492 |
| Total number of observations | 1182152 | 15420 | 56969 |
| Number of reflections | 73456 | ||
| <I/σ(I)> | 13.5 | 34.9 | 1.6 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 16.1 | 14.3 | 10.7 |
| CC(1/2) | 0.990 | 0.963 | 0.564 |
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 |
