1C5N
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 | 72.140, 72.260, 73.090 |
| Unit cell angles | 90.00, 101.23, 90.00 |
Refinement procedure
| Resolution | 7.500 - 1.500 |
| R-factor | 0.222 * |
| Rwork | 0.220 |
| R-free | 0.24600 |
| Structure solution method | DIFFERENCE FOURIER PLUS REFINEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 4.000 |
| Data reduction software | bioteX ((MSC)) |
| Data scaling software | bioteX |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.130 | 1.570 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.063 | 0.245 |
| <I/σ(I)> | 9 | 1.9 |
| Completeness [%] | 65.0 | 36.1 |
| Redundancy | 2.1 |
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 |
