1AHU
STRUCTURE OF THE OCTAMERIC FLAVOENZYME VANILLYL-ALCOHOL OXIDASE IN COMPLEX WITH P-CRESOL
Experimental procedure
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE AREA DETECTOR |
Collection date | 1996-11 |
Detector | MARRESEARCH |
Spacegroup name | I 4 |
Unit cell lengths | 128.820, 128.820, 130.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 100.000 * - 2.700 |
R-factor | 0.222 |
Rwork | 0.221 |
R-free | 0.29300 * |
Structure solution method | DENSITY AVERAGING AND LEAST SQUARES REFINEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 20.600 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CCP4 |
Refinement software | TNT (5E) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.097 * | 0.312 |
Total number of observations | 193846 * | |
Number of reflections | 27926 | |
<I/σ(I)> | 8 | 3 |
Completeness [%] | 95.4 | 84.2 * |
Redundancy | 6 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 4.6 | FROM 6% PEG4000, 100 MM ACETATE BUFFER PH 4.6 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG4000 | 6 (%(w/v)) | |
2 | 1 | reservoir | sodium acetate/HCl | 0.1 (M) |