5EAU
5-EPI-ARISTOLOCHENE SYNTHASE FROM NICOTIANA TABACUM
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 | 1996-03 |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 125.960, 125.960, 122.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.000 - 2.150 |
| R-factor | 0.242 |
| Rwork | 0.242 |
| R-free | 0.28700 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 5eas |
| RMSD bond length | 0.006 |
| RMSD bond angle | 19.900 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.300 | 2.200 |
| High resolution limit [Å] | 2.160 | 2.150 |
| Rmerge | 0.076 * | 0.469 * |
| Total number of observations | 268076 * | |
| Number of reflections | 49688 | |
| <I/σ(I)> | 8 | 2.7 |
| Completeness [%] | 91.5 | 70.3 |
| Redundancy | 5.4 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.9 | PROTEIN WAS CRYSTALLIZED FROM 15% PEG 8000, 200 MM MG(OAC)2, 100 MM MOPSO PH 6.9, 1MM DTT; 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) |
