5II7
In-house sulfur-SAD structure of orthorhombic red abalone lysin at 1.66 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-21 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54187 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.196, 51.195, 80.417 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.186 - 1.660 |
| R-factor | 0.1594 |
| Rwork | 0.156 |
| R-free | 0.18810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2lis |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.965 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_2386: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.186 | 1.721 |
| High resolution limit [Å] | 1.660 | 1.662 |
| Rmerge | 0.035 | 0.136 |
| Number of reflections | 34148 | |
| <I/σ(I)> | 37.88 | 6.41 |
| Completeness [%] | 76.0 | 10 |
| Redundancy | 4 | 1.1 |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 293 | 0.65 M ammonium sulfate, 0.2 M NaCl, 0.1 M CHES |
