4EMN
Crystal structure of RpfB catalytic domain in complex with benzamidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-01-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.545, 50.733, 66.421 |
| Unit cell angles | 90.00, 104.09, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.170 |
| R-factor | 0.1291 |
| Rwork | 0.127 |
| R-free | 0.18760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3eo5 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 0.030 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.210 |
| High resolution limit [Å] | 1.170 | 1.170 |
| Rmerge | 0.052 | 0.021 |
| Number of reflections | 85254 | |
| Completeness [%] | 92.0 | 75.1 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | 0.5% peg8000, 1M ammonium sulfate, pH 7.5, VAPOR DIFFUSION, temperature 293K |
