4MLI
Crystal structure of the SpyTag/SpyCatcher complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-11 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.97920 |
| Spacegroup name | P 1 |
| Unit cell lengths | 31.621, 38.527, 44.491 |
| Unit cell angles | 83.70, 78.25, 89.72 |
Refinement procedure
| Resolution | 38.288 - 2.100 |
| R-factor | 0.1996 |
| Rwork | 0.198 |
| R-free | 0.22520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x5p |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.692 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.072 | 0.208 |
| Number of reflections | 9604 | |
| <I/σ(I)> | 9.18 | 4.4 |
| Completeness [%] | 81.1 | 86.7 |
| Redundancy | 1.7 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 295 | Sodium Acetate 0.1M pH4.5, PEG3350 30%, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
