2IDT
Structure of M98Q mutant of amicyanin, Cu(II)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 8-BM |
Synchrotron site | APS |
Beamline | 8-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-08-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9794 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 28.410, 55.480, 27.040 |
Unit cell angles | 90.00, 95.17, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.000 |
R-factor | 0.124 |
R-free | 0.15780 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1aac |
RMSD bond length | 0.016 |
RMSD bond angle | 0.033 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXS |
Refinement software | SHELX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.020 |
High resolution limit [Å] | 1.000 | 1.000 |
Rmerge | 0.067 | 0.093 |
Number of reflections | 35092 | |
<I/σ(I)> | 31.1 | 7.8 |
Completeness [%] | 77.7 | 38 |
Redundancy | 3.9 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 5.5 | 293 | 2.6 M phosphate, pH 5.5, EVAPORATION, temperature 293K |