5IKA
Tobacco 5-epi-aristolochene synthase with 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 | 126.070, 126.070, 123.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.730 - 2.450 |
R-factor | 0.1765 |
Rwork | 0.174 |
R-free | 0.21610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5im1 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.053 |
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] | 50.730 | 2.537 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.074 | 0.517 |
Number of reflections | 37117 | |
<I/σ(I)> | 14.44 | 2.08 |
Completeness [%] | 99.9 | 99.67 |
Redundancy | 6.6 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 278 | 100 mM MOPSO, pH 7, 200 mM Mg Acetate, 16% PEG 8000 |