3D9X
Structure of the head of the Bartonella adhesin BadA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 29.870, 51.140, 58.620 |
| Unit cell angles | 65.87, 76.60, 82.08 |
Refinement procedure
| Resolution | 25.000 - 1.130 |
| R-factor | 0.15704 |
| Rwork | 0.156 |
| R-free | 0.17801 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s7m |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.369 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.160 |
| High resolution limit [Å] | 1.130 | 1.130 |
| Rmerge | 0.085 | 0.520 |
| Number of reflections | 105179 | |
| <I/σ(I)> | 3.7 | 3.7 |
| Completeness [%] | 90.7 | 76 |
| Redundancy | 5.8 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 0.05M ammonium sulfate, 0.05M Bis-Tris (pH 6.5), 30% v/v pentaerythrol ethoxylate, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
