3PMM
The crystal structure of a possible member of GH105 family from Klebsiella pneumoniae subsp. pneumoniae MGH 78578
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97942 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 143.085, 143.085, 129.612 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.247 - 1.899 |
| R-factor | 0.1565 |
| Rwork | 0.156 |
| R-free | 0.17130 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.944 |
| 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] | 45.300 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.112 | 0.728 |
| Number of reflections | 52988 | |
| <I/σ(I)> | 45.8 | 3.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 12 | 12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 0.1M imidazole:HCl, 2.5M Sodium Chloride, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
