1C5T
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 | 1998-02-13 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 54.950, 54.950, 109.690 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 7.500 - 1.370 |
| R-factor | 0.179 * |
| Rwork | 0.176 |
| R-free | 0.19500 |
| Structure solution method | DIFFERENCE FOURIER PLUS REFINEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 3.600 |
| 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] | 28.890 | 1.430 |
| High resolution limit [Å] | 1.330 | 1.370 |
| Rmerge | 0.057 | 0.218 |
| <I/σ(I)> | 14.4 | 2.3 |
| Completeness [%] | 84.0 | 35.1 |
| Redundancy | 3.1 |
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)) |
