6TCX
Papain bound to a natural cysteine protease inhibitor from Streptomyces mobaraensis
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97242 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.644, 48.921, 101.547 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.112 - 1.650 |
Rwork | 0.196 |
R-free | 0.22140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 9pap |
RMSD bond length | 0.003 |
RMSD bond angle | 1.175 |
Data reduction software | autoXDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.650 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rpim | 0.026 | 0.252 |
Number of reflections | 26295 | 1260 |
<I/σ(I)> | 15.1 | |
Completeness [%] | 99.8 | |
Redundancy | 13.1 | |
CC(1/2) | 0.999 | 0.876 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 100 mM HEPES pH 7.5 and 80% 2-Methyl-2,4-pentanediol (MPD) |