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 |