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 |