5DHK
Nicotiana tabacum 5-epi-aristolochene synthase mutant W273E - alkylated
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 | 2014-02-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.12949 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 126.690, 126.690, 122.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.420 - 2.430 |
R-factor | 0.1963 |
Rwork | 0.194 |
R-free | 0.23270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5eas |
RMSD bond length | 0.007 |
RMSD bond angle | 0.834 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.420 | 2.517 |
High resolution limit [Å] | 2.430 | 2.430 |
Rmerge | 1.018 | |
Number of reflections | 36829 | |
<I/σ(I)> | 32.44 | 1.26 |
Completeness [%] | 96.9 | 84 |
Redundancy | 8.5 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | PEG 8000, MgCl2, MOPSO |