4Q3X
Crystal structure of C. violaceum phenylalanine hydroxylase D139N 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 | 36.804, 38.534, 47.818 |
| Unit cell angles | 76.53, 73.09, 85.55 |
Refinement procedure
| Resolution | 22.700 - 1.350 |
| R-factor | 0.16246 |
| Rwork | 0.161 |
| R-free | 0.19956 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ltu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.260 |
| 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 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.056 | |
| Number of reflections | 48507 | |
| <I/σ(I)> | 17.9 | |
| Completeness [%] | 95.3 | 92.5 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 100 mM Na-HEPES pH 7.0, 10 mM Magnesium chloride hexahydrate, 5 mM Nickel(II) chloride hexahydrate, 15% w/v Polyethylene glycol 3,350, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
