4FML
Catalytic domain of VahC from Aeromonas hydrophila
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-08-21 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.979 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 91.100, 91.100, 303.370 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.550 - 1.930 |
R-factor | 0.1925 |
Rwork | 0.191 |
R-free | 0.21730 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.021 |
RMSD bond angle | 1.500 |
Data reduction software | AutoProcess ((XDS) |
Data scaling software | pointless (based automatic processing script)) |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.550 | 1.980 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.080 | 0.492 |
Number of reflections | 57036 | |
<I/σ(I)> | 31.2 | 3.67 |
Completeness [%] | 99.9 | 99.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 297 | 25% PEG 3350, 0.2 M NaCl, 0.1M Hepes, 5% glycerol, 2 mM DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 297K |