7SMG
Crystal structure of a (p)ppApp hydrolase from Bacteroides caccae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-10-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97859 |
Spacegroup name | P 61 |
Unit cell lengths | 144.136, 144.136, 63.485 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.640 - 2.300 |
R-factor | 0.203 |
Rwork | 0.201 |
R-free | 0.23450 |
Structure solution method | SAD |
RMSD bond length | 0.003 |
RMSD bond angle | 0.503 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.134 | 1.390 |
Number of reflections | 33605 | 1567 |
<I/σ(I)> | 24.8 | 1 |
Completeness [%] | 99.5 | 92.7 |
Redundancy | 14 | 6.8 |
CC(1/2) | 0.999 | 0.448 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 295 | 0.8 M Lithium chloride, 0.1 M Tris:HCl pH 8.5, 32% (w/v) PEG 4000 |