9UF9
CRYSTAL STRUCTURE OF PEPSTATIN A BOUND TO RHODOTORULA MUCILAGINOSA ASPARTIC PROTEASE RmuAP1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 07A |
| Synchrotron site | NSRRC |
| Beamline | TPS 07A |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2023-10-07 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.979060 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 41.519, 52.833, 157.808 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.600 - 1.780 |
| R-factor | 0.1762 |
| Rwork | 0.175 |
| R-free | 0.20520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.947 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.890 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.096 | 0.388 |
| Number of reflections | 61645 | 9849 |
| <I/σ(I)> | 8.69 | |
| Completeness [%] | 95.8 | |
| Redundancy | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | 50mM Sodium acetate (pH 5.0), 0.1M sodium phosphate monobasic monohydrate, 0.1M potassium phosphate monobasic, 0.1M MES monohydrate pH 6.5, 2.0M sodium chloride |
