6IXX
Crystal structure of a complex between psychrophilic marine protease MP and its inhibitor LupI
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 | 2018-01-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.664, 51.852, 102.142 |
| Unit cell angles | 90.00, 97.68, 90.00 |
Refinement procedure
| Resolution | 38.672 - 1.999 |
| R-factor | 0.1862 |
| Rwork | 0.184 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u1r |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 1.999 | 1.999 |
| Rmerge | 0.103 | 0.342 |
| Number of reflections | 35471 | 35471 |
| <I/σ(I)> | 17.813 | |
| Completeness [%] | 97.2 | 85.3 |
| Redundancy | 6.3 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 6.5 | 293 | 0.2M NaCl 0.1M MES 10% PEG 4000 |
