6RK4
Lysostaphin SH3b P4-G5 complex, synchrotron dataset
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 47.080, 47.080, 122.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.140 - 1.430 |
| R-factor | 0.2004 |
| Rwork | 0.199 |
| R-free | 0.22990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5leo |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.490 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0241) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.310 | 37.310 | 1.470 |
| High resolution limit [Å] | 1.430 | 6.400 | 1.430 |
| Rmerge | 0.060 | 0.050 | 3.479 |
| Rmeas | 0.062 | 0.052 | 3.552 |
| Rpim | 0.013 | 0.012 | 0.710 |
| Total number of observations | 635288 | 6259 | 46091 |
| Number of reflections | 26123 | 353 | 1868 |
| <I/σ(I)> | 21.6 | 47.2 | 1.1 |
| Completeness [%] | 98.9 | 90.6 | 98.4 |
| Redundancy | 24.3 | 17.7 | 24.7 |
| CC(1/2) | 0.999 | 0.998 | 0.562 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 289 | 100mM Bis-tris pH 5.5 25% w/v PEG3350 200mM ammonium sulphate |
