9H8W
Leishmania donovani 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] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-25 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97499 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 88.013, 90.799, 96.645 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.369 - 2.000 |
| Rwork | 0.216 |
| R-free | 0.27380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.549 |
| Data reduction software | xia2.multiplex |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.370 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.199 | 2.082 |
| Rmeas | 0.201 | 2.103 |
| Rpim | 0.027 | 0.291 |
| Number of reflections | 53201 | 2604 |
| <I/σ(I)> | 11.5 | 0.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 54 | 51.5 |
| CC(1/2) | 0.999 | 0.875 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.15 M DL-Malic acid 20 % w/v PEG 3350 |
