9CZ5
Crystal structure (II) of human farnesyl pyrophosphate synthase in complex with a cryptic pocket ligand, CL03049
This is a non-PDB format compatible entry.
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 | 110.450, 110.450, 77.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.165 - 2.652 |
| Rwork | 0.162 |
| R-free | 0.21830 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.662 |
| 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] | 63.170 | 2.720 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.049 | 1.082 |
| Rmeas | 0.054 | 1.181 |
| Rpim | 0.017 | 0.366 |
| Number of reflections | 14144 | 1022 |
| <I/σ(I)> | 28 | 3 |
| Completeness [%] | 99.0 | 98.7 |
| Redundancy | 9.7 | 9.7 |
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 |
