5BMG
Nitroxide Spin Labels in Protein GB1: E15 Mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-02-19 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.323, 79.498, 52.406 |
| Unit cell angles | 90.00, 90.14, 90.00 |
Refinement procedure
| Resolution | 27.075 - 2.200 |
| R-factor | 0.1885 |
| Rwork | 0.186 |
| R-free | 0.21830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qmt |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.315 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.110 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.084 | 0.220 |
| Number of reflections | 21244 | |
| <I/σ(I)> | 9.1 | 3.7 |
| Completeness [%] | 97.1 | 90.9 |
| Redundancy | 3.2 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 0.1 M magnesium chloride, 0.1 M Tris pH 4.5, 20% w/v PEG 4000 |
