2QMT
Crystal Polymorphism of Protein GB1 Examined by Solid-state NMR and X-ray Diffraction
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 103 |
| Detector technology | CCD |
| Collection date | 2005-03-01 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 35.730, 35.730, 75.600 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.050 |
| R-factor | 0.185 |
| Rwork | 0.181 |
| R-free | 0.20680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pga |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.396 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.090 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.062 | 0.238 |
| Number of reflections | 25051 | |
| Completeness [%] | 94.5 | 64.3 |
| Redundancy | 9.3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277 | 50 mM NaCl, 50% MPD, 6% IPA, 25 mM Acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
