7A5C
Crystal structure of spin labelled VcSiaP R125A bound to an artificial peptide ligand.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.3 |
| Synchrotron site | BESSY |
| Beamline | 14.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-05-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.894290 |
| Spacegroup name | P 63 |
| Unit cell lengths | 118.700, 118.700, 113.750 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.620 - 2.200 |
| R-factor | 0.1901 |
| Rwork | 0.188 |
| R-free | 0.23410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mag |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.983 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.350 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.085 | 1.479 |
| Number of reflections | 46188 | 3974 |
| <I/σ(I)> | 16.6 | 1.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.7 | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.2 M lithium sulfate, 0.1 M Tris (pH 8.5) and 1.26 M ammonium sulfate |
