5F1Y
Crystal structure of Ba3275, the member of S66 family of serine peptidases
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-03-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.324, 54.721, 86.260 |
| Unit cell angles | 90.00, 91.94, 90.00 |
Refinement procedure
| Resolution | 36.346 - 2.040 |
| R-factor | 0.1516 |
| Rwork | 0.149 |
| R-free | 0.19720 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.934 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (dev_1834) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.300 | 2.090 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.064 | |
| Number of reflections | 42220 | |
| <I/σ(I)> | 16.5 | |
| Completeness [%] | 99.3 | |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 10% Peg 8000, 100 mM Tris HCL 7.0, 200mM MgCl2 |
