6CJ7
Crystal structure of Manduca sexta Serine protease inhibitor (Serpin)-12
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 | PIXEL |
| Collection date | 2016-06-29 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97914 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.997, 80.555, 55.125 |
| Unit cell angles | 90.00, 102.73, 90.00 |
Refinement procedure
| Resolution | 35.819 - 1.600 |
| R-factor | 0.1638 |
| Rwork | 0.163 |
| R-free | 0.18630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dy0 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.897 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.091 | 0.045 |
| Number of reflections | 45917 | 4435 |
| <I/σ(I)> | 29.1 | 1.85 |
| Completeness [%] | 99.0 | 96.1 |
| Redundancy | 6.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20%PEG 8k 100mM HEPES pH 7.5 |
