4ZKR
The crystal structure of upain-1-W3A in complex with uPA at pH9.0
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-23 |
Detector | RAYONIX MX300HS |
Wavelength(s) | 1.0 |
Spacegroup name | H 3 |
Unit cell lengths | 121.122, 121.122, 43.062 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.110 - 1.360 |
R-factor | 0.208 |
Rwork | 0.207 |
R-free | 0.23400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dva |
RMSD bond length | 0.008 |
RMSD bond angle | 1.243 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.380 |
High resolution limit [Å] | 1.360 | 1.360 |
Rmerge | 0.345 | |
Number of reflections | 46198 | |
<I/σ(I)> | 22.8 | 1.7 |
Completeness [%] | 91.3 | 90.5 |
Redundancy | 4.9 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 50 mM sodium citrate pH 4.6, 2.0 M ammonium sulfate supplemented with 5% PEG400 |