5IKH
Tobacco 5-epi-aristolochene synthase M4 mutant with (-)-premnaspirodiene
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 | 2006-06-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 126.190, 126.190, 122.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 72.047 - 2.100 |
R-factor | 0.1825 |
Rwork | 0.181 |
R-free | 0.22430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5im1 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.941 |
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] | 72.050 | 2.175 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.083 | 0.857 |
Number of reflections | 57966 | |
<I/σ(I)> | 14.47 | 2.22 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.8 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 278 | 100 mM MOPSO, pH 7, 100 mM Mg Acetate, 10% PEG 8000 |