5QQ4
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000276a
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 | 57.821, 57.821, 396.079 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 66.010 - 1.580 |
| R-factor | 0.207 |
| Rwork | 0.205 |
| R-free | 0.24540 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1yhk |
| RMSD bond length | 0.760 |
| RMSD bond angle | 2.606 |
| 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] | 396.070 | 396.070 | 1.620 |
| High resolution limit [Å] | 1.580 | 7.070 | 1.580 |
| Rmerge | 0.145 | 0.031 | 2.439 |
| Rmeas | 0.149 | 0.032 | 2.532 |
| Rpim | 0.035 | 0.008 | 0.674 |
| Total number of observations | 977516 | 11975 | 56577 |
| Number of reflections | 55931 | ||
| <I/σ(I)> | 13.5 | 49.2 | 1.3 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 17.5 | 14.1 | 14.1 |
| CC(1/2) | 0.999 | 1.000 | 0.568 |
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 |
