1T2W
Crystal Structure of Sortase A in Complex with a LPETG peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-08-05 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.640, 82.670, 56.290 |
| Unit cell angles | 90.00, 103.96, 90.00 |
Refinement procedure
| Resolution | 27.310 - 1.800 |
| R-factor | 0.186 |
| Rwork | 0.186 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t2o |
| RMSD bond length | 0.035 |
| RMSD bond angle | 1.600 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.310 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 34240 | |
| Completeness [%] | 91.2 | 91.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.35 | 300 | Ammonium Sulfate, MES, Sodium Chloride, pH 6.35, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
