3BNY
Crystal structure of aristolochene synthase complexed with 2-fluorofarnesyl diphosphate (2F-FPP)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-09-23 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.654, 147.862, 83.954 |
Unit cell angles | 90.00, 97.84, 90.00 |
Refinement procedure
Resolution | 22.330 - 1.890 |
Rwork | 0.224 |
R-free | 0.26400 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2e4o |
RMSD bond length | 0.013 |
RMSD bond angle | 1.600 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.080 | 1.960 |
High resolution limit [Å] | 1.890 | 1.890 |
Rmerge | 0.073 | 0.502 |
Number of reflections | 104421 | |
<I/σ(I)> | 12.3 | 3.2 |
Completeness [%] | 88.2 | 77.9 |
Redundancy | 4.4 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277.15 | 18% PEG 6000, 100 mM Tris (pH 8.5), 0.5 M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K |