3KK4
uncharacterized protein BP1543 from Bordetella pertussis Tohama I
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-08-12 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.97962 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.212, 72.462, 61.737 |
Unit cell angles | 90.00, 112.05, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.950 |
R-factor | 0.14792 |
Rwork | 0.145 |
R-free | 0.19921 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.275 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.980 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.065 | 0.161 |
Number of reflections | 28761 | |
<I/σ(I)> | 55.43 | 16.76 |
Completeness [%] | 99.9 | 99.4 |
Redundancy | 7.4 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 297 | 0.2M Ammonium Acetate, 0.1M This-Cl pH 8.5, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 297K |