6KSL
Staphylococcus aureus lipase - S116A inactive mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-27 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 164.209, 164.209, 233.053 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.810 - 2.590 |
R-factor | 0.2503 |
Rwork | 0.249 |
R-free | 0.26750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ksi |
RMSD bond length | 0.018 |
RMSD bond angle | 2.122 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.750 |
High resolution limit [Å] | 2.590 | 2.590 |
Rmeas | 0.083 | 2.138 |
Number of reflections | 109044 | 17409 |
<I/σ(I)> | 16.8 | |
Completeness [%] | 99.8 | |
Redundancy | 10.6 | |
CC(1/2) | 0.999 | 0.523 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 1.0M Ammonium phosphate dibasic, 0.1M Tris pH8.5 |