4N6V
Partial rotational order disorder structure of human stefin B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.06717 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.559, 95.559, 254.977 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.370 - 1.800 |
| R-factor | 0.1921 |
| Rwork | 0.190 |
| R-free | 0.23370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1stf |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.648 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.069 | 0.656 |
| Number of reflections | 95273 | |
| <I/σ(I)> | 4.7 | |
| Completeness [%] | 90.7 | 58.3 |
| Redundancy | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 293 | 0.1M CAPS buffer, 0.2M Li2SO4, 2M ammonium sulfate, pH 10.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
