7Z3F
Crystal structure of the cupredoxin AcoP from Acidithiobacillus ferrooxidans, oxidized form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 73.477, 73.477, 112.902 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.260 - 1.700 |
| R-factor | 0.2375 |
| Rwork | 0.236 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7z3b |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.689 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 34624 | 4976 |
| <I/σ(I)> | 6.1 | |
| Completeness [%] | 99.7 | |
| Redundancy | 5.6 | |
| CC(1/2) | 0.987 | 0.485 |
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 |
