6B06
Crystal structure of CfFPPS2, a lepidopteran type-II farnesyl diphosphate synthase, complexed with IPP and [2-(1-methylpyridin-2-yl)-1-phosphono-ethyl]phosphonic acid (inhibitor 1b)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-03-20 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.9795 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 187.219, 122.646, 68.145 |
Unit cell angles | 90.00, 107.05, 90.00 |
Refinement procedure
Resolution | 101.170 - 2.600 |
R-factor | 0.1867 |
Rwork | 0.184 |
R-free | 0.23490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yv5 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.818 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 101.170 | 50.000 | 2.690 |
High resolution limit [Å] | 2.600 | 5.600 | 2.600 |
Rmerge | 0.107 | 0.054 | 0.765 |
Rmeas | 0.126 | 0.065 | 0.927 |
Rpim | 0.066 | 0.035 | 0.517 |
Number of reflections | 44753 | 4525 | 4444 |
<I/σ(I)> | 9.7 | ||
Completeness [%] | 99.8 | 99.3 | 99.6 |
Redundancy | 3.6 | 3.4 | 3 |
CC(1/2) | 0.997 | 0.597 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 295 | 20% PEG3350, 0.2 M ammonium formate |