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 |