8HET
Crystal structure of CTSL in complex with E64d
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-01-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9784 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.542, 47.705, 100.362 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.220 - 2.000 |
R-factor | 0.1859 |
Rwork | 0.183 |
R-free | 0.21330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5maj |
RMSD bond length | 0.006 |
RMSD bond angle | 0.898 |
Data reduction software | XDS (2020-12-02) |
Data scaling software | XDS (2020-12-02) |
Phasing software | PHENIX (1.20.1-4487-000) |
Refinement software | PHENIX (1.20.1-4487-000) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.220 | 42.220 | 2.120 |
High resolution limit [Å] | 2.000 | 5.960 | 2.000 |
Rmerge | 0.114 | 0.038 | 0.944 |
Rmeas | 0.118 | 0.040 | 0.984 |
Number of reflections | 15716 | 666 | 2483 |
<I/σ(I)> | 17.77 | ||
Completeness [%] | 100.0 | ||
Redundancy | 12.81 | ||
CC(1/2) | 0.999 | 0.999 | 0.845 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100mM Citric acid, 3M Sodium chloride, pH 3.5 |