3UAQ
Crystal Structure of the N-lobe Domain of Lactoferrin Binding Protein B (LbpB) of Moraxella bovis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-07 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.599, 83.928, 98.589 |
Unit cell angles | 90.00, 101.11, 90.00 |
Refinement procedure
Resolution | 33.033 - 2.932 |
R-factor | 0.2226 |
Rwork | 0.220 |
R-free | 0.26870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hol |
RMSD bond length | 0.005 |
RMSD bond angle | 0.933 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 96.800 | 35.000 | 3.060 |
High resolution limit [Å] | 2.900 | 6.340 | 2.900 |
Rmerge | 0.115 | 0.068 | 0.351 |
Number of reflections | 14327 | ||
<I/σ(I)> | 7.5 | ||
Completeness [%] | 98.6 | 96.4 | 99.6 |
Redundancy | 3.3 | 3.3 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 298 | PEG 6000, pH 8.5, vapor diffusion, temperature 298K |