3N0G
Crystal Structure of Isoprene Synthase from Grey Poplar Leaves (Populus x canescens) in complex with three Mg2+ ions and dimethylallyl-S-thiolodiphosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Detector technology | CCD |
Collection date | 2009-11-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.075 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 155.014, 155.014, 143.744 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.400 - 2.800 |
R-factor | 0.198 |
Rwork | 0.198 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3n0f |
RMSD bond length | 0.007 |
RMSD bond angle | 1.000 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.850 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.135 | 0.628 |
Number of reflections | 43749 | |
<I/σ(I)> | 3.3 | |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 100 mM Bis-Tris, 25% polyethylene glycol 3350, 200 mM (NH4)2SO4, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |