5HVF
Crystal Structure of Thrombin-activatable Fibrinolysis Inhibitor in Complex with an Inhibitory Nanobody (VHH-i83)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-12-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97857 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.290, 69.978, 165.337 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.990 - 2.850 |
R-factor | 0.1937 |
Rwork | 0.192 |
R-free | 0.22950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4p10 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.130 |
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] | 48.990 | 48.990 | 3.000 |
High resolution limit [Å] | 2.850 | 9.010 | 2.850 |
Rmerge | 0.139 | 0.070 | 0.838 |
Rmeas | 0.160 | 0.080 | 0.962 |
Rpim | 0.076 | 0.038 | 0.460 |
Total number of observations | 52279 | 1657 | 7500 |
Number of reflections | 13179 | ||
<I/σ(I)> | 7.1 | 16.6 | 2 |
Completeness [%] | 92.1 | 87.7 | 94.3 |
Redundancy | 4 | 3.7 | 3.9 |
CC(1/2) | 0.992 | 0.995 | 0.630 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 293 | 0.1 M citric acid, 25 % w/v PEG 3350 |