3QWT
The crystal structure of a possible member of GH105 family from Salmonella enterica subsp. enterica serovar Paratyphi A str. ATCC 9150
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-31 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97942, 0.97951 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 121.026, 159.361, 179.115 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.840 - 2.183 |
R-factor | 0.1851 |
Rwork | 0.182 |
R-free | 0.23750 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.117 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | SHELXD |
Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.220 |
High resolution limit [Å] | 2.180 | 2.180 |
Rmerge | 0.107 | 0.696 |
Number of reflections | 87941 | |
<I/σ(I)> | 20.7 | 2.02 |
Completeness [%] | 98.2 | 94.9 |
Redundancy | 4.5 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.2M NaCl, 0.1M Tris.HCl, 25% (w/v) PEG3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |