1O5D
Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 113 |
Detector technology | CCD |
Collection date | 2003-03-07 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 78.540, 69.030, 79.120 |
Unit cell angles | 90.00, 89.99, 90.00 |
Refinement procedure
Resolution | 7.000 - 2.050 |
R-factor | 0.228 |
Rwork | 0.226 |
R-free | 0.26200 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.019 |
RMSD bond angle | 3.900 |
Data reduction software | DENZO (1.97.2) |
Data scaling software | SCALEPACK |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.140 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.051 | 0.288 |
Number of reflections | 50184 | |
<I/σ(I)> | 7.7 | |
Completeness [%] | 95.0 | |
Redundancy | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.2 | 290 | 0.1 M citrate, 16-18% PEG 5K MME, pH 7.2, vapor diffusion at 290 K |