1YHM
Structure of the complex of Trypanosoma cruzi farnesyl disphosphate synthase with alendronate, Isopentenyl diphosphate and mg+2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-06-16 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.1 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 103.205, 103.205, 385.236 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 87.710 - 2.500 |
R-factor | 0.2114 |
Rwork | 0.208 |
R-free | 0.27770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yhk |
RMSD bond length | 0.019 |
RMSD bond angle | 1.981 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 87.710 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.146 | 0.895 |
Number of reflections | 55148 | |
Completeness [%] | 95.6 | |
Redundancy | 12.9 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 4.6 | 293 | peg 4000 Na acetate amonium sulfate, pH 4.6, LIQUID DIFFUSION, temperature 293K |