4Q3Y
Crystal structure of C. violaceum phenylalanine hydroxylase D139A mutation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-12-17 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 1 |
| Unit cell lengths | 36.982, 38.672, 47.853 |
| Unit cell angles | 76.68, 72.81, 85.54 |
Refinement procedure
| Resolution | 22.320 - 1.400 |
| R-factor | 0.16671 |
| Rwork | 0.165 |
| R-free | 0.20452 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ltu |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.217 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.067 | |
| Number of reflections | 44330 | |
| <I/σ(I)> | 18.3 | |
| Completeness [%] | 95.8 | 92.9 |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1 M Na-HEPES, PH 7.0, 10 mM Magnesium chloride hexahydrate, 5mM Nickel(II) chloride hexahydrate, 15% w/v Polyethylene glycol 3,350, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
