3DKZ
Crystal structure of the Q7W9W5_BORPA protein from Bordetella parapertussis. Northeast Structural Genomics Consortium target BpR208C.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4C |
Synchrotron site | NSLS |
Beamline | X4C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-06-19 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97907 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 69.646, 69.646, 107.792 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.930 - 2.400 |
R-factor | 0.238 |
Rwork | 0.238 |
R-free | 0.26000 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.500 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXDE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.053 | 0.306 |
Number of reflections | 44952 | |
<I/σ(I)> | 30.1 | 2.5 |
Completeness [%] | 98.5 | 99.9 |
Redundancy | 5.3 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | microbatch-under-oil crystallization | 291 | 26% PEG 4000, 0.17M ammonium sulfate, 15% glycerol, microbatch-under-oil crystallization , temperature 291K |