5YBI
Structure of the bacterial pathogens ATPase with substrate AMPPNP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17B1 |
| Synchrotron site | SSRF |
| Beamline | BL17B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-09-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97876 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 105.017, 105.017, 146.642 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.000 - 2.268 |
| R-factor | 0.1818 |
| Rwork | 0.179 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ybh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.149 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHARP |
| Refinement software | PHENIX (1.9_1690) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.400 | 2.410 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.090 | 0.550 |
| Number of reflections | 82611 | |
| <I/σ(I)> | 20.56 | 4.27 |
| Completeness [%] | 98.5 | 98.8 |
| Redundancy | 8.52 | 8.44 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 296 | 0.1M Bicine, pH8.6, 1.2M Ammonium sulphate |
