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 |