3TK2
Crystallographic structure of phenylalanine hydroxylase from Chromobacterium violaceum cocrystallized with phenylalanine in a site distal to the active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-06-26 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 1.033 |
Spacegroup name | P 1 |
Unit cell lengths | 36.934, 38.561, 47.800 |
Unit cell angles | 76.56, 72.90, 85.41 |
Refinement procedure
Resolution | 24.490 - 1.350 |
R-factor | 0.16098 |
Rwork | 0.159 |
R-free | 0.20727 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ltu |
RMSD bond length | 0.025 |
RMSD bond angle | 2.199 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.370 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.043 | |
Number of reflections | 47843 | |
<I/σ(I)> | 34.2 | |
Completeness [%] | 93.5 | 84 |
Redundancy | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1M Na-HEPES, 0.001M Magnesium chloride hexahydrate, 0.005M Nickel (II) chloride hexahydrate, 15% w/v PEG 3,350, 0.1M hexammine cobalt (II) chloride, 1.0M guanidine hydrochloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |