3CPK
Crystal structure of the Q7W7N7_BORPA protein from Bordetella parapertussis. Northeast Structural Genomics Consortium target BeR31
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-01-30 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97901, 0.97928, 0.96785 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 43.510, 43.510, 118.224 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.830 - 2.500 |
R-factor | 0.209 |
Rwork | 0.209 |
R-free | 0.25300 |
Structure solution method | MAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.700 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.120 | 0.565 |
Number of reflections | 15148 | |
<I/σ(I)> | 20.4 | 2.95 |
Completeness [%] | 99.6 | 96.6 |
Redundancy | 5.6 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 15-20% PEG 8000, 0.1M Manganese chloride, 0.1M MOPS pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |