7Z3B
Crystal structure of the cupredoxin AcoP from Acidithiobacillus ferrooxidans, reduced form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-06-02 |
| Detector | PSI JUNGFRAU 4M |
| Wavelength(s) | 1.07137 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 72.951, 72.951, 112.821 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.630 - 1.650 |
| R-factor | 0.16 |
| Rwork | 0.159 |
| R-free | 0.18980 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.930 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | CRANK |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.740 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 37412 | 5387 |
| <I/σ(I)> | 15.4 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.9 | |
| CC(1/2) | 0.999 | 0.638 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100mM potassium acetate, 10mM potassium chloride, 50mM MES, 50mM Tris, 50mM Hepes, 34-44% PEG3000 |
