6TS7
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 | 2013-05-05 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.99995 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.690, 60.490, 64.010 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.000 - 2.630 |
R-factor | 0.1938 |
Rwork | 0.190 |
R-free | 0.27590 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 |
RMSD bond angle | 1.030 |
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] | 63.990 | 63.990 | 2.700 |
High resolution limit [Å] | 2.630 | 11.760 | 2.630 |
Rmerge | 0.155 | 0.083 | 0.527 |
Rmeas | 0.170 | 0.093 | 0.578 |
Number of reflections | 7265 | 103 | 516 |
<I/σ(I)> | 10.34 | 18.05 | 3.72 |
Completeness [%] | 99.8 | 100 | 99.6 |
Redundancy | 5.998 | 5.155 | 6.052 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 25% w/v PEG 3350, Sodium acetate trihydrate pH 4.5 |