5ILJ
Tobacco 5-epi-aristolochene synthase with BIS-TRIS buffer molecule
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 | 126.520, 126.520, 122.290 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.730 - 2.050 |
R-factor | 0.1611 |
Rwork | 0.160 |
R-free | 0.18830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5im1 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.976 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.730 | 2.123 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.089 | 0.519 |
Number of reflections | 54352 | |
<I/σ(I)> | 11.96 | 2.01 |
Completeness [%] | 86.7 | 82 |
Redundancy | 6.8 | 3.4 |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 278 | 100 mM BIS-TRIS, pH 6.5, 300 mM Ca Acetate, 16% PEG 8000 |