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 |
