3LA9
Crystal structure of the trimeric autotransporter adhesin head domain BpaA from Burkholderia pseudomallei, iodide phased
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-13 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | H 3 |
Unit cell lengths | 50.780, 50.780, 135.660 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.220 - 2.050 |
R-factor | 0.117 |
Rwork | 0.115 |
R-free | 0.15400 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.142 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.100 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.025 | 0.039 |
Number of reflections | 8173 | 1196 |
<I/σ(I)> | 53.75 | 31 |
Completeness [%] | 99.5 | 96 |
Redundancy | 5.43 | 3.62 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 289 | Original hit: PACT B1, 0.1 M MIB buffer pH 4.0, 25% PEG 1500; soaked into 0.1 M MIB buffer pH 4.0, 1.0 M KI, 35% PEG 1500 for 1 hour; crystal tracking ID 203140b1, VAPOR DIFFUSION, SITTING DROP, temperature 289K |