6GVB
Crystal structure of Cutibacterium acnes exo-beta-1,4-mannosidase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.07175 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 84.180, 104.370, 112.750 |
Unit cell angles | 90.00, 90.27, 90.00 |
Refinement procedure
Resolution | 49.601 - 1.800 |
R-factor | 0.1953 |
Rwork | 0.195 |
R-free | 0.22650 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 0.859 |
Data reduction software | XDS (v1.0) |
Data scaling software | XSCALE (v1.0) |
Phasing software | autoSHARP (3.10.7) |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.601 | 2.100 | 1.900 |
High resolution limit [Å] | 1.800 | 2.000 | 1.800 |
Rmeas | 0.121 | 0.008 | 0.016 |
Number of reflections | 175603 | 16499 | 25615 |
<I/σ(I)> | 9.49 | 1.69 | 1.92 |
Completeness [%] | 97.4 | 48.7 | 96 |
Redundancy | 6.8 | 2.9 | 6.7 |
CC(1/2) | 0.997 | 0.629 | 0.740 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | 0.2 M MOPS buffer, 0.2 M magnesium acetate, 20% (w/v) PEG 8000 and 5 mM D-mannose 20 mM HEPES pH 7.5, 300 mM NaCl, 10% (v/v)glycerol, 0.5 mM TCEP |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | 0.2 M MOPS buffer, 0.2 M magnesium acetate, 20% (w/v) PEG 8000 and 5 mM D-mannose 20 mM HEPES pH 7.5, 300 mM NaCl, 10% (v/v)glycerol, 0.5 mM TCEP |