2XWG
Crystal structure of sortase C-1 from Actinomyces oris (formerly Actinomyces naeslundii)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 104.070, 108.230, 143.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.674 - 2.400 |
| R-factor | 0.2074 |
| Rwork | 0.205 |
| R-free | 0.24390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w1j |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.412 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.500 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.080 | 0.360 |
| Number of reflections | 62240 | |
| <I/σ(I)> | 16.6 | 4.2 |
| Completeness [%] | 97.5 | 91.9 |
| Redundancy | 5.9 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 1.9 M NAFORMATE, 1.9 M KFORMATE |
