8VLC
Crystal structure of Zn-dependent hydrolase from Salmonella typhimurium LT2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-28 |
Detector | DECTRIS PILATUS3 X 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 62 |
Unit cell lengths | 121.002, 121.002, 35.367 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.610 - 1.800 |
R-factor | 0.1899 |
Rwork | 0.189 |
R-free | 0.21620 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.829 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
Rmerge | 0.133 | 0.048 | 0.834 |
Rmeas | 0.137 | 0.049 | 0.929 |
Rpim | 0.033 | 0.011 | 0.388 |
Total number of observations | 418261 | ||
Number of reflections | 27989 | 1484 | 1361 |
<I/σ(I)> | 7.5 | ||
Completeness [%] | 99.9 | 99.9 | 98.8 |
Redundancy | 14.9 | 18.7 | 4.4 |
CC(1/2) | 0.999 | 0.999 | 0.697 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | PEGMME 350, Tris-Cl,. PEG600 |