5GO5
Structure of sortase E 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 | 2014-11-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 85.840, 85.840, 48.200 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.920 - 1.650 |
| R-factor | 0.16272 |
| Rwork | 0.161 |
| R-free | 0.19078 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rcc |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.580 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.920 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.075 | 0.778 |
| Number of reflections | 24903 | |
| <I/σ(I)> | 19.3 | 3.3 |
| Completeness [%] | 99.9 | 99.2 |
| Redundancy | 9.3 | 9.4 |
| CC(1/2) | 0.999 | 0.808 |
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 |
