5EAT
5-EPI-ARISTOLOCHENE SYNTHASE FROM NICOTIANA TABACUM WITH SUBSTRATE ANALOG FARNESYL HYDROXYPHOSPHONATE
Experimental procedure
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 90 |
Detector technology | IMAGE PLATE |
Collection date | 1996-11 |
Detector | MARRESEARCH |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 126.330, 126.330, 121.698 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 100.000 - 2.800 |
R-factor | 0.24 |
Rwork | 0.240 |
R-free | 0.28000 |
Structure solution method | RIGID BODY REFINEMENT/DIFFERENCE FOURIER MAPS |
Starting model (for MR) | NATIVE TEAS (PDB ENTRY 5EAS) |
RMSD bond length | 0.011 |
RMSD bond angle | 19.800 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.187 * | 0.531 * |
Total number of observations | 136072 * | |
Number of reflections | 24648 | |
<I/σ(I)> | 5.4 | 1.8 |
Completeness [%] | 98.3 | 96.3 |
Redundancy | 5.5 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7 * | PROTEIN WAS CRYSTALLIZED FROM 15% PEG 8000, 200 MM MG(OAC)2, 100 MM MOPSO PH 6.9, 1MM DTT, 2 MM FARNESYL HYDROXYPHOSPHONATE; SOAKING SOLUTION FOR FREEZING ALSO INCLUDED 20% ETHYLENE GLYCOL. |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG8000 | 15 (%) | |
2 | 1 | reservoir | 200 (mM) | ||
3 | 1 | reservoir | MOPSO | 100 (mM) | |
4 | 1 | reservoir | dithiothreitol | 1 (mM) |