2CAK
1.27Angstrom Structure of Rusticyanin from Thiobacillus ferrooxidans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 297 |
Detector technology | IMAGE PLATE |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 32.473, 60.823, 38.121 |
Unit cell angles | 90.00, 108.01, 90.00 |
Refinement procedure
Resolution | 12.000 - 1.270 |
R-factor | 0.1207 |
R-free | 0.13780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1a8z |
RMSD bond length | 0.014 |
RMSD bond angle | 0.030 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 12.000 | 1.300 |
High resolution limit [Å] | 1.270 | 1.270 |
Rmerge | 0.050 | 0.390 |
Number of reflections | 37281 | |
<I/σ(I)> | 9.7 | 2.2 |
Completeness [%] | 99.7 | 100 |
Redundancy | 4 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 3.8 | pH 3.80 |