5JUZ
Crystal structure of human FPPS in complex with an allosteric inhibitor CL-06-057
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 | 2016-04-21 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97949 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 110.900, 110.900, 77.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 78.420 - 2.400 |
R-factor | 0.18285 |
Rwork | 0.180 |
R-free | 0.22718 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4qxs |
RMSD bond length | 0.023 |
RMSD bond angle | 2.135 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC (5.8.0123) |
Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.420 | 2.460 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.098 | 0.931 |
Number of reflections | 19304 | |
<I/σ(I)> | 14.1 | 2.3 |
Completeness [%] | 99.8 | 99.4 |
Redundancy | 9.3 | 9.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.6 M sodium phosphate, 0.6 M potassium phosphate, 25% glycerol, 0.075 M HEPES, pH 7.5 |