7AQL
Crystal Structure of an Anti-Plasminogen Activator Inhibitor-1 (PAI-1) scFv antibody fragment (scFv-33H1F7)
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 | 2016-06-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.978570 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 190.398, 55.577, 102.493 |
Unit cell angles | 90.00, 90.28, 90.00 |
Refinement procedure
Resolution | 45.210 - 1.800 |
R-factor | 0.1866 |
Rwork | 0.186 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dzb |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 102.490 | 102.490 | 1.880 |
High resolution limit [Å] | 1.780 | 5.630 | 1.780 |
Rmerge | 0.041 | 0.027 | 0.564 |
Rmeas | 0.049 | 0.032 | 0.672 |
Rpim | 0.026 | 0.018 | 0.361 |
Total number of observations | 323744 | 10558 | 49945 |
Number of reflections | 96894 | 3358 | 14928 |
<I/σ(I)> | 14 | 34.1 | 1.9 |
Completeness [%] | 93.9 | 98.3 | 99.8 |
Redundancy | 3.3 | 3.1 | 3.3 |
CC(1/2) | 0.999 | 0.998 | 0.785 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 1.8 M DIAMMONIUM PHOSPHATE, 0.1 M BIS-TRIS, 4% w/v ACETONITRILE |