6O44
Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates peptide analysis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-21 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.177, 80.123, 87.729 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.162 - 1.830 |
| R-factor | 0.1885 |
| Rwork | 0.187 |
| R-free | 0.22170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sub |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.641 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3247: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.162 | 1.900 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 1.570 | |
| Rmeas | 1.760 | |
| Rpim | 0.770 | |
| Number of reflections | 46392 | 4571 |
| <I/σ(I)> | 6.62 | 1.13 |
| Completeness [%] | 98.9 | 99.13 |
| Redundancy | 5.2 | 4.9 |
| CC(1/2) | 0.994 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | ammonium sulfate, PEG 4,000, Tris-HCl (pH 8.0). |
