6PAK
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 | 2018-06-21 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.247, 80.475, 86.920 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.216 - 1.980 |
R-factor | 0.2417 |
Rwork | 0.239 |
R-free | 0.28640 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6o44 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.684 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.14_3219: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.280 | 2.030 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.214 | 1.338 |
Number of reflections | 36622 | 2553 |
<I/σ(I)> | 6.3 | 1.1 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 5.7 | 5.4 |
CC(1/2) | 0.994 | 0.501 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Ammonium sulfate, PEG 4,000, Tris-HCl (pH 8.0) |