9CYZ
Crystal structure of human farnesyl pyrophosphate synthase in complex with a cryptic pocket ligand, CL02134
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 | 110.750, 110.750, 77.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.086 - 2.302 |
| R-factor | 0.1704 |
| Rwork | 0.168 |
| R-free | 0.21320 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.627 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.090 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.046 | 1.043 |
| Rmeas | 0.050 | 1.155 |
| Rpim | 0.016 | 0.352 |
| Number of reflections | 21853 | 1593 |
| <I/σ(I)> | 28.4 | 3.2 |
| Completeness [%] | 99.6 | 99.5 |
| Redundancy | 9.7 | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295.15 | 0.085 M tri-Sodium citrate (pH 5.6), 0.425 M Ammonium sulfate, 0.85 M Lithium sulfate, 15% (v/v) Glycerol |
