1C1X
L-PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND L-3-PHENYLLACTATE
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 | 64.600, 110.400, 113.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.400 |
| R-factor | 0.183 |
| Rwork | 0.180 |
| R-free | 0.22900 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 15.000 * |
| 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 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.053 | 0.271 |
| Total number of observations | 735380 * | |
| Number of reflections | 156183 | 15057 * |
| <I/σ(I)> | 22.1 | |
| Completeness [%] | 97.0 | 94.7 |
| Redundancy | 4.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 8.7 | 296 | 1.2 M NA/K PHOSPHATE 50 MM CHES 2% ISOPROPANOL 5 MM NAD+ 10 MM L-3- PHENYLLACTATE 3.75 MG/ML PROTEIN, pH 8.7, MACROSEEDED INTO BATCH, temperature 296K |
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 | NAD+ | 10 (mM) | |
| 5 | 1 | 1 | sodium potassium phospahte | 2.4 (M) | |
| 6 | 1 | 1 | CHES | 100 (mM) | pH8.7 |
| 7 | 1 | 1 | 2-propanol | 4 (%(v/v)) | |
| 8 | 1 | 1 | L-3-phenyllactate | 20 (mM) |
