1J8U
Catalytic Domain of Human Phenylalanine Hydroxylase Fe(II) in Complex with Tetrahydrobiopterin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM1A |
Synchrotron site | ESRF |
Beamline | BM1A |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2000-09-30 |
Detector | MARRESEARCH |
Wavelength(s) | 0.873 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 66.441, 108.676, 124.418 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.500 |
R-factor | 0.157 |
Rwork | 0.155 |
R-free | 0.20300 |
Starting model (for MR) | 1pah |
RMSD bond length | 0.012 |
RMSD bond angle | 2.030 |
Data reduction software | DENZO |
Data scaling software | CCP4 ((SCALA)) |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.580 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.051 | 0.370 |
Total number of observations | 495560 * | |
Number of reflections | 71940 | |
<I/σ(I)> | 8.7 | 2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.9 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 6.8 | 277 | PEG2000, Na-hepes, ethylene glycol, pH 6.8, Vapor diffusion, hanging drop, anaerobically, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | 10 (mM) | ||
2 | 1 | reservoir | dithiothreitol | 150 (mM) | |
3 | 1 | drop | protein | 5.5 (mg/ml) | |
4 | 1 | drop | sodium-Hepes | 20 (mM) | pH6.8 |
5 | 1 | drop | 75 (mM) |