3N70
The Crystal Structure of the P-loop NTPase domain of the Sigma-54 transport activator from E. coli to 2.8A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 43 |
| Unit cell lengths | 77.612, 77.612, 215.088 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.883 - 2.800 |
| R-factor | 0.2325 |
| Rwork | 0.229 |
| R-free | 0.27970 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.279 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | PHENIX (1.5_2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 6.030 | 2.800 |
| Rmerge | 0.084 | 0.053 | 0.635 |
| Number of reflections | 31261 | ||
| <I/σ(I)> | 9.8 | ||
| Completeness [%] | 99.9 | 99.4 | 100 |
| Redundancy | 3.5 | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 1% PEG 3350, 0.1M Bis-Tris pH 5.5, 1.0M Ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
