3IBA
Crystal structure of the complex of Trypanosoma cruzi farnesyl diphosphate synthase with zoledronate, IPP and Mg2+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-10-31 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.1 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 58.344, 58.344, 390.404 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.870 - 2.400 |
R-factor | 0.22858 |
Rwork | 0.225 |
R-free | 0.29476 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.892 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 65.090 |
High resolution limit [Å] | 2.400 |
Number of reflections | 14730 |
Completeness [%] | 88.4 |
Redundancy | 7.9 |
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 |