4LLS
Crystal structure of a farnesyl diphosphate synthase from Roseobacter denitrificans OCh 114, target EFI-509393, with IPP, GSPP, 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) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.095, 83.032, 71.386 |
| Unit cell angles | 90.00, 108.87, 90.00 |
Refinement procedure
| Resolution | 26.500 - 1.500 |
| R-factor | 0.17015 |
| Rwork | 0.169 |
| R-free | 0.19544 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lvs |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.385 |
| 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 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.074 | 0.632 |
| Number of reflections | 89715 | |
| <I/σ(I)> | 15.2 | 2.1 |
| Completeness [%] | 99.7 | 99.9 |
| 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 6.0, 20% v/v PEG8000, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
