5IVG
Crystal structure of Aspergillus terreus aristolochene synthase N299A complexed with farnesyl thiolodiphosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-09-16 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.075 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 123.407, 123.407, 203.455 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.307 - 1.950 |
R-factor | 0.1627 |
Rwork | 0.162 |
R-free | 0.19940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kux |
RMSD bond length | 0.015 |
RMSD bond angle | 1.500 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (dev_1839) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.950 |
Number of reflections | 130703 |
<I/σ(I)> | 31.4 |
Completeness [%] | 100.0 |
Redundancy | 22.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 200 mM magnesium acetate, 20% PEG 3350. |