6AG7
The crystal structure of uPA in complex with HMA-55F
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NFPSS BEAMLINE BL19U1 |
Synchrotron site | NFPSS |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | H 3 |
Unit cell lengths | 120.940, 120.940, 42.795 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 60.000 - 1.900 |
R-factor | 0.19926 |
Rwork | 0.198 |
R-free | 0.22847 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dva |
RMSD bond length | 0.007 |
RMSD bond angle | 1.345 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.109 | 0.557 |
Number of reflections | 18351 | 951 |
<I/σ(I)> | 21.6 | |
Completeness [%] | 100.0 | |
Redundancy | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 50 mM sodium citrate, pH 4.6, and 2.0 M ammonium sulfate supplemented with 5% polyethylene glycol 400 |