4YGN
NaI--Interactions between Hofmeister Anions and the Binding Pocket of a Protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-06-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.341, 41.336, 72.837 |
| Unit cell angles | 90.00, 104.57, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.230 |
| R-factor | 0.17694 |
| Rwork | 0.175 |
| R-free | 0.20937 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.164 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.250 |
| High resolution limit [Å] | 1.230 | 1.230 |
| Number of reflections | 59438 | |
| <I/σ(I)> | 29.7 | 4 |
| Completeness [%] | 82.4 | 26.6 |
| Redundancy | 2.6 | 1.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 277 | 100 mM Tris-Cl, 1.15 M sodium citrate, pH 7.8 |
