1BXG
PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND BETA-PHENYLPROPIONATE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 270 |
| Detector technology | AREA DETECTOR |
| Collection date | 1998-05 |
| Detector | SIEMENS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.510, 116.960, 111.550 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.300 |
| Rwork | 0.170 |
| Structure solution method | OTHER |
| RMSD bond length | 0.013 |
| RMSD bond angle | 15.977 * |
| Data reduction software | XDS |
| Data scaling software | XCALIBRE |
| Refinement software | TNT (5E) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.070 | 0.250 |
| Total number of observations | 73548 * | |
| Number of reflections | 34077 | 3428 * |
| <I/σ(I)> | 6.7 | 1.6 |
| Completeness [%] | 88.0 | 72 |
| Redundancy | 2 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.7 | 4 * | pH 8.7 |
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 | sodium potassium phosphate | 2.70 (M) | |
| 4 | 1 | drop | CHES | 100 (mM) | |
| 5 | 1 | drop | beta-phenylpropionate | 10 (mM) | |
| 6 | 1 | drop | 2-propanol | 4 (%(v/v)) |
