4YGJ
NaBr--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 | 2014-08-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.299, 41.379, 72.460 |
| Unit cell angles | 90.00, 104.64, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.100 |
| R-factor | 0.12812 |
| Rwork | 0.127 |
| R-free | 0.14675 |
| Starting model (for MR) | 3ryy |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.351 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.040 |
| High resolution limit [Å] | 1.020 | 1.020 |
| Number of reflections | 88157 | |
| <I/σ(I)> | 41.7 | |
| Completeness [%] | 94.1 | |
| Redundancy | 1.3 | 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 |
