3TYH
Crystal structure of oxo-cupper clusters binding to ferric binding protein from Neisseria gonorrhoeae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2011-06-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 32 |
| Unit cell lengths | 146.514, 146.514, 114.590 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.960 - 2.100 |
| R-factor | 0.14423 |
| Rwork | 0.143 |
| R-free | 0.16941 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xc1 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.726 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.140 | 0.710 |
| Number of reflections | 160488 | |
| <I/σ(I)> | 14.6 | 3.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.8 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.8 | 290 | 0.2M Sodium chloride, 20% PEG 4000, pH 7.8, VAPOR DIFFUSION, temperature 290K |
