6JWM
Crystal structure of the SPRY domain of SPSB2 in complex with cR7, a potent cyclic peptide inhibitor of SPSB2-iNOS interaction
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NFPSS BEAMLINE BL19U1 |
Synchrotron site | NFPSS |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-18 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9778 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.060, 63.970, 68.840 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.860 - 1.230 |
R-factor | 0.17805 |
Rwork | 0.177 |
R-free | 0.20018 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.761 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.970 | 1.260 |
High resolution limit [Å] | 1.230 | 1.240 |
Number of reflections | 51393 | |
<I/σ(I)> | 14.4 | |
Completeness [%] | 99.8 | |
Redundancy | 8.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 6.5 | 293 | 0.2 M Sodium chloride, 0.1 M BIS-TRIS pH6.5, 25% w/v Polyethylene glycol 3350 |