6RJE
Lysostaphin SH3b P4-G5 complex, homesource dataset
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-09-19 |
Detector | RIGAKU |
Wavelength(s) | 1.54 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 47.190, 47.190, 123.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.980 - 2.500 |
R-factor | 0.2557 |
Rwork | 0.254 |
R-free | 0.29050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5leo |
RMSD bond length | 0.003 |
RMSD bond angle | 1.180 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.21) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 33.370 | 33.370 | 2.600 |
High resolution limit [Å] | 2.500 | 9.010 | 2.500 |
Rmerge | 0.130 | 0.063 | 0.224 |
Rmeas | 0.136 | 0.068 | 0.238 |
Rpim | 0.039 | 0.022 | 0.076 |
Total number of observations | 62603 | 1347 | 4903 |
Number of reflections | 5260 | 152 | 552 |
<I/σ(I)> | 14.3 | 15.6 | 6 |
Completeness [%] | 99.6 | 98 | 98.7 |
Redundancy | 11.9 | 8.9 | 8.9 |
CC(1/2) | 0.993 | 0.996 | 0.964 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 100mM Bis-tris pH 5.5 25% w/v PEG3350 200mM ammonium sulphate |