5GO6
Structure of sortase E T196V mutant from Streptomyces avermitilis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-04-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 84.983, 84.983, 48.005 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.010 - 1.700 |
| R-factor | 0.17435 |
| Rwork | 0.173 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5go5 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.895 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.065 | |
| Number of reflections | 22502 | |
| <I/σ(I)> | 39.1 | 2.77 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 12.2 | 10.7 |
| CC(1/2) | 0.982 | 0.877 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.75 | 293 | 1.6M ammonium sulfate, 0.1M citric acid pH 3.75 |
