5F64
Putative positive transcription regulator (sensor EvgS) from Shigella flexneri
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 | 2009-06-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 168.485, 110.867, 110.769 |
| Unit cell angles | 90.00, 126.74, 90.00 |
Refinement procedure
| Resolution | 39.200 - 2.710 |
| R-factor | 0.1851 |
| Rwork | 0.183 |
| R-free | 0.22290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f6c |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.548 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 7.310 | 2.700 |
| Rmerge | 0.081 | 0.030 | 0.830 |
| Rmeas | 0.095 | 0.036 | 0.978 |
| Rpim | 0.049 | 0.019 | 0.512 |
| Total number of observations | 164723 | ||
| Number of reflections | 43850 | ||
| <I/σ(I)> | 9.8 | 1.7 | |
| Completeness [%] | 99.3 | 95 | 95 |
| Redundancy | 3.8 | 3.6 | 3.5 |
| CC(1/2) | 0.998 | 0.793 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.2 M tri-sodium citrate, 0.1 M TRIS buffer, 15% PEG-400 |
