4LLT
Crystal structure of a farnesyl diphosphate synthase from Roseobacter denitrificans OCh 114, target EFI-509393, with two IPP and calcium bound in active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-14 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.899, 83.117, 71.332 |
| Unit cell angles | 90.00, 108.95, 90.00 |
Refinement procedure
| Resolution | 26.460 - 1.550 |
| R-factor | 0.17564 |
| Rwork | 0.174 |
| R-free | 0.20379 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lvs |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.516 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.075 | 0.684 |
| Number of reflections | 78181 | |
| <I/σ(I)> | 16.2 | 2.1 |
| Completeness [%] | 96.1 | 93.7 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.2 M calcium acetate, 0.1 M MES/NaOH, pH 6, 20% v/v PEG8000, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
