5QPX
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000534a
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 | 57.917, 57.917, 395.051 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 65.840 - 1.670 |
| R-factor | 0.2064 |
| Rwork | 0.204 |
| R-free | 0.25540 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1yhk |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.899 |
| 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] | 131.680 | 131.680 | 1.710 |
| High resolution limit [Å] | 1.670 | 7.470 | 1.670 |
| Rmerge | 0.139 | 0.039 | 3.259 |
| Rmeas | 0.143 | 0.041 | 3.371 |
| Rpim | 0.034 | 0.010 | 0.855 |
| Total number of observations | 849437 | 10345 | 52521 |
| Number of reflections | 47624 | ||
| <I/σ(I)> | 12.2 | 40.9 | 1.1 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 17.8 | 14.2 | 15.4 |
| CC(1/2) | 0.999 | 0.999 | 0.637 |
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 |
