2AE2
TROPINONE REDUCTASE-II COMPLEXED WITH NADP+ AND PSEUDOTROPINE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-07-13 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 88.600, 88.600, 338.300 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.900 |
| Rwork | 0.172 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ae1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 23.830 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.200 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.084 | 0.247 |
| Total number of observations | 195899 * | |
| Number of reflections | 54120 | |
| Completeness [%] | 85.6 | 77.9 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | 20 * | drop consists of equal volume of protein and reservoir solutions * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | drop | NADP+ | 4 (mM) | |
| 3 | 1 | drop | phi-tropine | 20 (mM) | |
| 4 | 1 | drop | Tris-HCl | 5 (mM) | |
| 5 | 1 | drop | dithiothreitol | 1 (mM) | |
| 6 | 1 | reservoir | HEPES | 0.1 (M) | |
| 7 | 1 | reservoir | 1.7 (M) | ||
| 8 | 1 | reservoir | dithiothreitol | 1 (mM) |
