4MLS
Crystal structure of the SpyTag and SpyCatcher-deltaN1 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 | C 1 2 1 |
| Unit cell lengths | 71.129, 30.474, 39.878 |
| Unit cell angles | 90.00, 98.93, 90.00 |
Refinement procedure
| Resolution | 39.394 - 1.984 |
| R-factor | 0.2111 |
| Rwork | 0.210 |
| R-free | 0.23680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x5p |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.111 |
| 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 | 2.030 |
| High resolution limit [Å] | 1.984 | 2.000 |
| Rmerge | 0.117 | 0.362 |
| Number of reflections | 5530 | |
| <I/σ(I)> | 12.6 | 5.2 |
| Completeness [%] | 94.4 | 94.6 |
| Redundancy | 3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 295 | Sodium Acetate 0.1M pH4.5, NaCl 200mM, PEG3350 30%, Glycerol 5%, VAPOR DIFFUSION, HANGING DROP, temperature 295KK |
