9CY2
Crystal structure of human farnesyl pyrophosphate synthase in complex with a cryptic pocket ligand, JDS05120
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 | 2014-09-19 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 110.950, 110.950, 73.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.618 - 2.200 |
| Rwork | 0.188 |
| R-free | 0.24620 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.435 |
| 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] | 49.620 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.041 | 1.004 |
| Rmeas | 0.045 | 1.126 |
| Rpim | 0.015 | 0.374 |
| Number of reflections | 23662 | 1696 |
| <I/σ(I)> | 24.7 | 2.2 |
| Completeness [%] | 98.9 | 97.2 |
| Redundancy | 8.9 | 8.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295.15 | 0.085 M HEPES (pH 7.5), 17% (w/v) PEG 10000, 6.8% (v/v) ethylene glycol, 15% (v/v) glycerol |
