5IM1
Tobacco 5-epi-aristolochene synthase without buffer molecule in the active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 127.770, 127.770, 125.240 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.170 - 1.880 |
R-factor | 0.1695 |
Rwork | 0.168 |
R-free | 0.19520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5eat |
RMSD bond length | 0.008 |
RMSD bond angle | 0.949 |
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] | 45.170 | 1.947 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.099 | 0.514 |
Number of reflections | 55532 | |
<I/σ(I)> | 10.16 | 1.87 |
Completeness [%] | 65.8 | 52.76 |
Redundancy | 5 | 2.7 |
CC(1/2) | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 278 | Crystal reservoir solution:100 mM MOPSO, pH 7, 100 mM Mg Acetate, 10% PEG 8000,Soaked in 200 mM Sodium maleate (pH 7) added reservoir. |