1MMK
Crystal structure of ternary complex of the catalytic domain of human phenylalanine hydroxylase ((FeII)) complexed with tetrahydrobiopterin and thienylalanine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2002-02-02 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 65.194, 107.860, 123.437 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| Rwork | 0.199 |
| R-free | 0.22900 |
| Structure solution method | phases adopted from 1KW0 |
| Starting model (for MR) | 1kw0 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 21.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.081 | 0.235 |
| Number of reflections | 27721 | 2816 * |
| <I/σ(I)> | 6.5 | 3 |
| Completeness [%] | 93.1 | 66 |
| Redundancy | 4.1 | 2.2 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 277 | 20% PEG 2000, 12% ethylene glycol, 0.12M Na-Hepes, 10mM BH4, 30mM Na-dithionite, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG2000 | 20 (%(w/v)) | |
| 2 | 1 | reservoir | ethylene glycol | 12 (%(v/v)) | |
| 3 | 1 | reservoir | sodium HEPES | 0.12 (M) | pH6.8 |
| 4 | 1 | reservoir | 10 (mM) | ||
| 5 | 1 | reservoir | sodium dithionite | 30 (mM) | |
| 6 | 1 | drop | protein | 7-8 (mg/ml) |
