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 |
