6IY4
Crystal structure of a psychrophilic marine protease MP inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-06-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.036, 39.281, 62.571 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.310 - 1.590 |
| R-factor | 0.2102 |
| Rwork | 0.210 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ixx |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.739 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.640 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.213 | 0.654 |
| Rpim | 0.088 | 0.277 |
| Number of reflections | 11707 | 5628 |
| <I/σ(I)> | 11 | |
| Completeness [%] | 99.7 | |
| Redundancy | 5.4 | |
| CC(1/2) | 0.991 | 0.869 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 6.5 | 293 | 0.1M NaCl, 0.1M BIS-TRIS pH 6.5, 1.5M (NH4)2SO4 |
