6AZP
A Structurally Dynamic N-terminal Region Drives Function of the Staphylococcal Peroxidase Inhibitor (SPIN)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 128.854, 92.876, 80.460 |
| Unit cell angles | 90.00, 119.91, 90.00 |
Refinement procedure
| Resolution | 38.958 - 2.291 |
| R-factor | 0.1817 |
| Rwork | 0.179 |
| R-free | 0.22910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5uzu |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.136 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 38.964 | 2.380 |
| High resolution limit [Å] | 2.291 | 4.950 | 2.300 |
| Rmerge | 0.151 | ||
| Rpim | 0.063 | 0.034 | 0.414 |
| Number of reflections | 36486 | 3740 | 3574 |
| <I/σ(I)> | 12 | 2.2 | |
| Completeness [%] | 99.0 | 99.7 | 98.3 |
| Redundancy | 7.7 | 7.6 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 20% w/v PEG3350, 0.2 M ammonium citrate, pH 7.0 |
