3QQ2
Crystal Structure of the Beta Domain of the Bordetella Autotransporter Brka
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-26 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.07176 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 60.510, 122.372, 405.549 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 3.000 |
R-factor | 0.269 |
Rwork | 0.266 |
R-free | 0.32400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qom |
RMSD bond length | 0.012 |
RMSD bond angle | 1.588 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 3.110 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.145 | 0.315 |
Number of reflections | 29563 | |
<I/σ(I)> | 35.4 | 3.268 |
Completeness [%] | 96.5 | 75 |
Redundancy | 8.4 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 100MM TIS-HCL, 10MM SPERMIDINE, 200MM LICL, 25% PEG 2000, PH8.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K |