1C1D
L-PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NADH AND L-PHENYLALANINE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 1998-11-13 |
| Detector | CUSTOM-MADE |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.800, 110.600, 113.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.250 |
| R-factor | 0.195 |
| Rwork | 0.193 |
| R-free | 0.23800 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 14.700 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | TNT (V. 5-E) |
| Refinement software | TNT (5E) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.290 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.061 | 0.255 |
| Total number of observations | 1286363 * | |
| Number of reflections | 216285 | 20510 * |
| <I/σ(I)> | 24.4 | |
| Completeness [%] | 96.5 | 92.1 |
| Redundancy | 5.9 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 7.8 * | used macroseeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | enzyme | 7.5 (mg/ml) | |
| 2 | 1 | 1 | triethanolamine | 50 (mM) | pH7.8 |
| 3 | 1 | 1 | 100 (mM) | ||
| 4 | 1 | 1 | NADH | 10 (mM) | |
| 5 | 1 | 1 | L-phenylalanine | 20 (mM) | |
| 6 | 1 | 1 | sodium potassium phosphate | 2.55 (M) | |
| 7 | 1 | 1 | CHES | 100 (mM) | pH8.7 |
| 8 | 1 | 1 | 2-propanol | 4 (%(v/v)) |
