8GSJ
APC-Asef tripeptide inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2020-01-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.978 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.400, 66.480, 84.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.220 - 2.100 |
R-factor | 0.2013 |
Rwork | 0.199 |
R-free | 0.25610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5iza |
RMSD bond length | 0.008 |
RMSD bond angle | 1.142 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.220 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 20548 | 1652 |
<I/σ(I)> | 21.9 | |
Completeness [%] | 99.9 | |
Redundancy | 12.9 | |
CC(1/2) | 1.000 | 0.852 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2M Ammonium sulfate, 0.1M Tris pH 8.0, 25% w/v PEG 4000 |