4D70
Structural, biophysical and biochemical analyses of a Clostridium perfringens Sortase D5 transpeptidase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-28 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.776, 65.582, 68.057 |
| Unit cell angles | 90.00, 93.86, 90.00 |
Refinement procedure
| Resolution | 67.900 - 1.990 |
| R-factor | 0.17769 |
| Rwork | 0.176 |
| R-free | 0.21335 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3g66 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.687 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.200 | 2.090 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.070 | 0.630 |
| Number of reflections | 23533 | |
| <I/σ(I)> | 18 | 3.2 |
| Completeness [%] | 99.5 | 97.1 |
| Redundancy | 7.5 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 281 | THE PROTEIN CONCENTRATION WAS 20 MG/ML AND THE RESERVOIR CONDITIONS WERE 0.2M AMMONIUM ACETATE, 25% PEG 3350, 0.1M BIS-TRIS CHLORIDE AT PH 5.5 AND INCUBATED AT 8C. |
