3TCY
Crystallographic structure of phenylalanine hydroxylase from Chromobacterium violaceum (cPAH) bound to 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 | 2011-03-27 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 1.033 |
Spacegroup name | P 1 |
Unit cell lengths | 36.674, 38.281, 47.736 |
Unit cell angles | 76.65, 73.03, 85.69 |
Refinement procedure
Resolution | 37.250 - 1.550 |
R-factor | 0.16488 |
Rwork | 0.163 |
R-free | 0.20698 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ltu |
RMSD bond length | 0.011 |
RMSD bond angle | 1.400 |
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 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.036 | |
Number of reflections | 31363 | |
<I/σ(I)> | 26.2 | |
Completeness [%] | 95.0 | 84.6 |
Redundancy | 2.3 |
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 |