5HVH
Crystal Structure of Thrombin-activatable Fibrinolysis Inhibitor in Complex with two Inhibitory Nanobodies
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-07 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9801 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 196.986, 196.986, 147.512 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.250 - 3.000 |
R-factor | 0.1903 |
Rwork | 0.190 |
R-free | 0.20240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4p10 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.140 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER |
Refinement software | BUSTER-TNT (2.10.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.250 | 49.250 | 3.150 |
High resolution limit [Å] | 3.000 | 9.950 | 3.000 |
Rmerge | 0.266 | 0.079 | 1.785 |
Rmeas | 0.272 | 0.081 | 1.826 |
Rpim | 0.058 | 0.018 | 0.384 |
Total number of observations | 750979 | 20331 | 100102 |
Number of reflections | 34292 | ||
<I/σ(I)> | 11.6 | 27.6 | 2.1 |
Completeness [%] | 100.0 | 99.3 | 100 |
Redundancy | 21.9 | 18.9 | 22.4 |
CC(1/2) | 0.996 | 0.998 | 0.804 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 0.1 M sodium acetate trihydrate, 3.0 M sodium chloride |