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 |