1C5Q
STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-10-14 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.870, 64.110, 69.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.500 - 1.430 |
| R-factor | 0.2 * |
| Rwork | 0.197 |
| R-free | 0.22100 |
| Structure solution method | DIFFERENCE FOURIER PLUS REFINEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 3.800 |
| Data reduction software | bioteX ((MSC)) |
| Data scaling software | bioteX |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.930 | 1.490 |
| High resolution limit [Å] | 1.330 | 1.430 |
| Rmerge | 0.087 | 0.259 |
| <I/σ(I)> | 10.9 | 2.1 |
| Completeness [%] | 75.0 | 39.1 |
| Redundancy | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 7.5 * | Katz, B.A., (1999) J. Mol. Biol., 292, 669. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | 1.0 (mM) | ||
| 2 | 1 | 1 | 1.51 (M) | ||
| 3 | 1 | 1 | trypsin | 0.59 (mM) | |
| 4 | 1 | 1 | DMSO | 5.0 (%(v/v)) |
