1AE1
TROPINONE REDUCTASE-I COMPLEX WITH NADP
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-11-22 |
| Detector | RIGAKU |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 55.740, 122.750, 75.510 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.400 |
| R-factor | 0.155 |
| Rwork | 0.155 |
| R-free | 0.24800 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 24.730 * |
| Data reduction software | PROCESS |
| Data scaling software | PROCESS |
| Phasing software | PHASES |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 122.500 | 2.500 |
| High resolution limit [Å] | 2.380 | 2.380 |
| Rmerge | 0.043 | 0.110 |
| Total number of observations | 65888 * | |
| Number of reflections | 19708 | |
| <I/σ(I)> | 30.48 | 6.5 |
| Completeness [%] | 94.8 | 83.6 |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 * | 20 * | pH 4.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 9 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 5 (mM) | |
| 3 | 1 | drop | NADP+ | 8 (mM) | |
| 4 | 1 | drop | dithiothreitol | 2 (mM) | |
| 5 | 1 | reservoir | sodium citrate | 50 (mM) | |
| 6 | 1 | reservoir | PEG1000 | 16-20 (%(v/v)) | |
| 7 | 1 | reservoir | magnesium acetate | 0.18-0.20 (M) |
