9BLJ
Crystal structure of a serine protease inhibitor HPI from Hevea brasiliensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-02 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 47.506, 47.506, 95.927 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.250 - 1.740 |
| R-factor | 0.1988 |
| Rwork | 0.197 |
| R-free | 0.21280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.235 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (5463) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.960 | 1.760 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.045 | 0.430 |
| Rmeas | 0.047 | 0.522 |
| Rpim | 0.014 | 0.279 |
| Number of reflections | 7132 | 386 |
| <I/σ(I)> | 23.8 | 0.876 |
| Completeness [%] | 100.0 | |
| Redundancy | 8.7 | |
| CC(1/2) | 1.000 | 0.880 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 291 | Solution 18 Crystal Screen 1: containing 0.2 M Magnesium acetate, 0.1 M Sodium cacodylate at pH 6.5, and 20% w/v Polyethylene glycol 8,000 |
