2IAA
Crystal Structure of an Electron Transfer Complex Between Aromatic Amine Dephydrogenase and Azurin from Alcaligenes Faecalis (Form 2)
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-06-07 |
Detector | SBC |
Wavelength(s) | 1.381, 1.445 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.216, 131.722, 133.204 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.040 - 1.950 |
R-factor | 0.174 |
Rwork | 0.174 |
R-free | 0.20500 |
Structure solution method | MAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.040 | |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.059 | 0.202 |
Number of reflections | 80127 | |
<I/σ(I)> | 14.8 | 3.4 |
Completeness [%] | 78.0 | 68.6 |
Redundancy | 2.6 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | PEG, MES and calcium acetate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |