7XR8
Structure of the S8 family protease A4095
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-19 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9791 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 79.617, 76.657, 84.314 |
Unit cell angles | 90.00, 96.82, 90.00 |
Refinement procedure
Resolution | 39.530 - 1.940 |
R-factor | 0.1801 |
Rwork | 0.178 |
R-free | 0.22110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6f9m |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.530 | 2.010 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.117 | 0.406 |
Rmeas | 0.141 | 0.498 |
Rpim | 0.078 | 0.285 |
Number of reflections | 73208 | 6344 |
<I/σ(I)> | 15.9 | 2.6 |
Completeness [%] | 99.2 | 89.3 |
Redundancy | 3.2 | 2.8 |
CC(1/2) | 0.961 | 0.712 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M potassium thiocyanate, 0.1 M Bis-Tris propane (pH 6.5), and 20% (w/v) PEG 3350 |