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) |