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 |