1BW9
PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND PHENYLPYRUVATE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-02 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.300, 110.200, 113.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.500 |
| Rwork | 0.195 |
| Structure solution method | MIR |
| RMSD bond length | 0.013 |
| RMSD bond angle | 14.825 * |
| Data reduction software | SAINT (2000) |
| Data scaling software | XCALIBRE |
| Refinement software | TNT (5E) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.570 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.080 | 0.236 * |
| Total number of observations | 461544 * | |
| Number of reflections | 121716 | 12631 * |
| <I/σ(I)> | 12.3 | 2.2 |
| Completeness [%] | 94.0 | 77 |
| Redundancy | 3.8 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.7 | 4 * | used to seeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7.5 (mg/ml) | |
| 2 | 1 | drop | NAD+ | 10 (mM) | |
| 3 | 1 | drop | phenylpyruvate | 10 (mM) | |
| 4 | 1 | drop | sodium potassium phosphate | 2.6 (M) | |
| 5 | 1 | drop | CHES | 100 (mM) | |
| 6 | 1 | drop | 2-propanol | 4 (%(v/v)) |
