6GWQ
Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-stab) in Complex with an Inhibitory Nanobody (VHH-2g-42)
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 | PIXEL |
| Collection date | 2017-03-12 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.980105 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.870, 123.647, 64.975 |
| Unit cell angles | 90.00, 129.94, 90.00 |
Refinement procedure
| Resolution | 49.816 - 2.320 |
| R-factor | 0.2071 |
| Rwork | 0.206 |
| R-free | 0.23020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1db2 5ja8 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.196 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 60.190 | 60.190 | 2.260 |
| High resolution limit [Å] | 2.140 | 6.770 | 2.140 |
| Rmerge | 0.085 | 0.048 | 0.803 |
| Rmeas | 0.099 | 0.056 | 0.934 |
| Rpim | 0.050 | 0.029 | 0.472 |
| Total number of observations | 115386 | 3937 | 16679 |
| Number of reflections | 29859 | 967 | 4354 |
| <I/σ(I)> | 8.2 | 24 | 1.4 |
| Completeness [%] | 99.7 | 99.3 | 99.7 |
| Redundancy | 3.9 | 4.1 | 3.8 |
| CC(1/2) | 0.995 | 0.993 | 0.673 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | 1 M succinic acid, 0.1 M HEPES, 1 % w/v PEG 2000 |
