7PK4
Tick salivary cystatin Ricistatin in complex with cathepsin V
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-02 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 1.541870 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 117.488, 45.322, 58.520 |
| Unit cell angles | 90.00, 96.89, 90.00 |
Refinement procedure
| Resolution | 43.870 - 1.920 |
| R-factor | 0.1878 |
| Rwork | 0.186 |
| R-free | 0.22610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kfq |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.462 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 43.910 | 43.870 | 1.970 |
| High resolution limit [Å] | 1.920 | 9.010 | 1.920 |
| Rmerge | 0.132 | 0.043 | 1.070 |
| Rmeas | 0.160 | 0.052 | 1.362 |
| Rpim | 0.090 | 0.030 | 0.828 |
| Total number of observations | 775 | 3372 | |
| Number of reflections | 23406 | 245 | 1504 |
| <I/σ(I)> | 6.5 | 22.1 | 0.8 |
| Completeness [%] | 99.2 | 98.8 | 94 |
| Redundancy | 3.1 | 3.2 | 2.2 |
| CC(1/2) | 0.991 | 0.985 | 0.320 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291.15 | 0.07 M Ammonium acetate 4.5 18.9% w/v PEG 10,000 |
