3HFI
The crystal structure of the putative regulator from Escherichia coli CFT073
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 | 2008-08-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 103.656, 103.656, 58.209 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 89.800 - 2.200 |
| R-factor | 0.20335 |
| Rwork | 0.201 |
| R-free | 0.25558 |
| Structure solution method | SAD |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.876 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5.0054) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.800 | 2.257 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.096 | 0.734 |
| Number of reflections | 9325 | |
| <I/σ(I)> | 51.9 | 3.4 |
| Completeness [%] | 99.8 | 99.3 |
| Redundancy | 27.5 | 26.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 289 | 0.1M Na(OAC), 3.5M NaFormate, 1/600 CHYMOTRYPSIN, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
