1C5L
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 | 1999-04-08 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 72.370, 73.520, 73.850 |
| Unit cell angles | 90.00, 100.93, 90.00 |
Refinement procedure
| Resolution | 7.500 - 1.470 |
| R-factor | 0.217 * |
| Rwork | 0.215 |
| R-free | 0.23600 |
| Structure solution method | DIFFERENCE FOURIER PLUS REFINEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 3.900 |
| 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] | 44.160 | 1.540 |
| High resolution limit [Å] | 1.310 | 1.470 |
| Rmerge | 0.071 | 0.371 |
| <I/σ(I)> | 9.8 | 1.3 |
| Completeness [%] | 69.0 | 35.8 |
| Redundancy | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 * | used seeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | HEPES | 0.10 (M) | |
| 3 | 1 | reservoir | 0.30 (M) | ||
| 4 | 1 | reservoir | PEG5000 MME | 22 (%) | pH7.5 or 8.2 |
