5ILY
Tobacco 5-epi-aristolochene synthase with BIS-TRIS buffer molecule and diphosphate (PPi)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-07-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 126.740, 126.740, 124.760 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.198 - 2.450 |
R-factor | 0.1833 |
Rwork | 0.182 |
R-free | 0.21730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5im1 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.161 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.200 | 2.538 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.146 | 3.322 |
Number of reflections | 35732 | |
<I/σ(I)> | 10.36 | 1.2 |
Completeness [%] | 94.3 | 96.87 |
Redundancy | 9.8 | 9.8 |
CC(1/2) | 0.997 | 0.725 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 278 | Crystallizion reserior:100 mM MOPSO, pH 7, 300 mM Mg Acetate, 13% PEG 8000,Soaked in 50 mM MOPSO (pH 7), 110 mM Mg Acetate, 10% PEG 8000, 10 mM BIS-TRIS (pH 6.5), 1 mM inorganic diphosphate (PPi) |