6TS6
Coagulation factor XI protease domain in complex with active site inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-04-14 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.000040 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.060, 60.730, 66.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.000 - 1.330 |
R-factor | 0.1937 |
Rwork | 0.193 |
R-free | 0.21020 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 |
RMSD bond angle | 1.020 |
Data scaling software | XSCALE (January 30, 2009) |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 60.070 | 60.070 | 1.360 |
High resolution limit [Å] | 1.330 | 5.950 | 1.330 |
Rmerge | 0.134 | 0.116 | 0.485 |
Rmeas | 0.148 | 0.127 | 0.543 |
Number of reflections | 55884 | 660 | 4081 |
<I/σ(I)> | 8.09 | 13.34 | 3.09 |
Completeness [%] | 98.7 | 91 | 98.5 |
Redundancy | 4.883 | 5.273 | 4.743 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M Ammonium sulfate, 0.1 M BIS-TRIS pH5.5, 25% w/v Polyethylene glycol 3350 |