9H60
Leishmania braziliensis ISP2 in complex with bovine alpha-chymotrypsin
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 273 |
| Detector technology | PIXEL |
| Collection date | 2022-05-25 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.979499 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 91.276, 92.086, 96.519 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.873 - 1.900 |
| Rwork | 0.181 |
| R-free | 0.21750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.482 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.880 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.154 | 1.865 |
| Rmeas | 0.154 | |
| Rpim | 0.030 | 0.360 |
| Number of reflections | 64941 | 3196 |
| <I/σ(I)> | 12.4 | 1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 27.4 | 27 |
| CC(1/2) | 0.999 | 0.844 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.2 M Potassium bromide 0.1 M Sodium acetate pH 5.5 25 % w/v PEG 2000 MME |
