5EI0
Structure of RCL-cleaved vaspin (serpinA12)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.392, 104.422, 62.965 |
| Unit cell angles | 90.00, 96.90, 90.00 |
Refinement procedure
| Resolution | 29.189 - 2.500 |
| R-factor | 0.2267 |
| Rwork | 0.224 |
| R-free | 0.27530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4if8 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.568 |
| Data reduction software | XDS (November 3, 2014) |
| Data scaling software | XSCALE (November 3, 2014) |
| Phasing software | PHASER (2.5.1) |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.190 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.165 | 1.659 |
| Number of reflections | 23966 | |
| <I/σ(I)> | 7 | 0.9 |
| Completeness [%] | 89.2 | 57.8 |
| Redundancy | 4.2 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295.15 | 20 % (w/v) PEG 3350, 20 % (v/v) isopropanol, 0.1 M imidazole-HCl pH 7.0 |
