2O8W
Crystal Structure and Binding Epitopes of Urokinase-type Plasminogen Activator (C122A/N145Q/S195A) in complex with Inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-03-25 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.5418 |
Spacegroup name | H 3 |
Unit cell lengths | 120.875, 120.875, 42.591 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 60.240 - 1.860 |
R-factor | 0.213 |
Rwork | 0.213 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | PROTEUM PLUS (PLUS) |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.240 | 1.960 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.114 | 0.114 |
Number of reflections | 15503 | |
<I/σ(I)> | 7.34 | 7.34 |
Completeness [%] | 79.5 | 79.5 |
Redundancy | 3.88 | 3.88 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | 0.05M sodium citrate (pH4.5) buffer, 1.95M (NH4)2SO4, 0.05% NaN3, 5% PEG400, VAPOR DIFFUSION, SITTING DROP, temperature 298K |