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 |