3K1H
Crystal structure of HP1076 from H.pylori
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6C1 |
| Synchrotron site | PAL/PLS |
| Beamline | 6C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-26 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97958 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 58.874, 87.202, 60.824 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.060 - 1.740 |
| R-factor | 0.21118 |
| Rwork | 0.210 |
| R-free | 0.23305 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.169 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.056 | 0.443 |
| Number of reflections | 16258 | |
| <I/σ(I)> | 45.8 | |
| Completeness [%] | 90.4 | |
| Redundancy | 7.4 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 0.1M Bis-Tris, 27% PEG 3350, 0.2M Lithium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
