3ICZ
Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with 1-(2,2-Bis-phosphono-ethyl)-3-butyl-pyridinium and isopentenyl pyrophosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-15 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97929 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 58.398, 58.398, 391.809 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.940 - 2.150 |
R-factor | 0.191 |
Rwork | 0.188 |
R-free | 0.25700 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.021 |
RMSD bond angle | 1.784 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.230 |
High resolution limit [Å] | 2.150 | 4.630 | 2.150 |
Rmerge | 0.096 | 0.061 | 0.227 |
Number of reflections | 21604 | ||
<I/σ(I)> | 9 | ||
Completeness [%] | 93.4 | 95.8 | 73.4 |
Redundancy | 10.6 | 11.5 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | PEG 4000, 200mM Ammonium Sulfate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |