4LPG
Crystal structure of human FPPS in complex with CL01131
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 | 2012-09-25 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 110.870, 110.870, 77.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.580 - 2.350 |
| R-factor | 0.18399 |
| Rwork | 0.182 |
| R-free | 0.22962 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2f7m |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.752 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC (5.7.0032) |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.580 | 2.410 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.044 | 0.527 |
| Number of reflections | 20573 | |
| <I/σ(I)> | 36.7 | 5.4 |
| Completeness [%] | 99.7 | 98 |
| Redundancy | 14.4 | 14.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295.15 | 17% PEG10000, 6.8% ethylene glycol, 15% glycerol, 0.085 M HEPES, microseeding (see primary citation for details), pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295.15K |
