4Q3W
Crystal structure of C. violaceum phenylalanine hydroxylase D139E 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 | 2013-03-16 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 1 |
| Unit cell lengths | 37.003, 38.673, 47.813 |
| Unit cell angles | 76.66, 72.86, 85.60 |
Refinement procedure
| Resolution | 22.810 - 1.400 |
| R-factor | 0.15977 |
| Rwork | 0.158 |
| R-free | 0.19661 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ltu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.257 |
| 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 | 0.091 | |
| Number of reflections | 44359 | |
| <I/σ(I)> | 15.4 | |
| Completeness [%] | 95.8 | 93.1 |
| Redundancy | 3.9 |
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, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
