1KW0
Catalytic Domain of Human Phenylalanine Hydroxylase (Fe(II)) in Complex with Tetrahydrobiopterin and Thienylalanine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM1A |
Synchrotron site | ESRF |
Beamline | BM1A |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2001-04-08 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.8000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 65.172, 106.741, 123.440 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.500 |
Rwork | 0.220 |
R-free | 0.26700 |
Structure solution method | adopting entry 1PAH phases |
Starting model (for MR) | 1pah |
RMSD bond length | 0.007 |
RMSD bond angle | 21.900 * |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.000 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.092 | 0.377 |
Total number of observations | 59237 * | |
Number of reflections | 14178 | 2071 * |
<I/σ(I)> | 7.1 | 2.1 |
Completeness [%] | 94.4 | 95.2 |
Redundancy | 4.2 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 6.8 | 277 | 20% PEG 2000, 10% ethylene glycol 0.12M Na-Hepes pH 6.8, 30mM Na-dithionite, 10mM BH4, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | 5 (mM) | ||
2 | 1 | drop | sodium dithionite | 15 (mM) |