2GI9
Backbone Conformational Constraints in a Microcrystalline U-15N-Labeled Protein by 3D Dipolar-Shift Solid-State NMR Spectroscopy
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Detector technology | CCD |
| Collection date | 2005-11-01 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.197, 36.384, 50.274 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.140 |
| R-factor | 0.167 |
| R-free | 0.18100 |
| Structure solution method | AB INITIO |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.030 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.140 |
| Number of reflections | 16662 |
| Completeness [%] | 96.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | 5mM Acetate 3.8, 150mM NaCl, 50% MPD and 20% IPA, pH 4.5 |
