6N9I
Structure of the Quorum Quenching lactonase from Parageobacillus caldoxylosilyticus - free
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-10-01 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.03323 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 145.420, 108.680, 78.740 |
Unit cell angles | 90.00, 115.84, 90.00 |
Refinement procedure
Resolution | 63.930 - 1.600 |
R-factor | 0.14178 |
Rwork | 0.139 |
R-free | 0.18730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2r2d |
RMSD bond length | 0.003 |
RMSD bond angle | 0.696 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.930 | 1.700 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmeas | 0.033 | 0.645 |
Number of reflections | 602221 | 23974 |
<I/σ(I)> | 26.5 | 3.1 |
Completeness [%] | 99.6 | 99.7 |
Redundancy | 4.17 | 4.15 |
CC(1/2) | 0.100 | 0.994 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | Concentrated protein samples 10mg.mL-1, ammonium sulfate 1 to 2.25M, 0.1M sodium acetate. Diffraction quality crystals appeared after 1 d at 292 K |