7I1M
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0011177-001-002
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-10 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 42.477, 42.477, 216.517 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.130 - 2.013 |
| R-factor | 0.2188 |
| Rwork | 0.216 |
| R-free | 0.28150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.950 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4 (26-JUL-2023)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.129 | 2.217 |
| High resolution limit [Å] | 2.013 | 2.013 |
| Rmerge | 0.131 | 1.992 |
| Rmeas | 0.135 | 2.037 |
| Rpim | 0.031 | 0.419 |
| Total number of observations | 121166 | 8917 |
| Number of reflections | 7765 | 388 |
| <I/σ(I)> | 11.5 | 1.6 |
| Completeness [%] | 55.0 | |
| Redundancy | 15.6 | 23 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 298 | 30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8) |
