1C5P
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 | 1997-05-23 |
Detector | RIGAKU RAXIS IV++ |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 54.830, 54.830, 109.150 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 7.500 - 1.210 * |
R-factor | 0.194 * |
Rwork | 0.197 |
R-free | 0.22100 |
Structure solution method | DIFFERENCE FOURIER PLUS REFINEMENT |
RMSD bond length | 0.018 * |
RMSD bond angle | 3.700 |
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 | 1.260 |
High resolution limit [Å] | 1.210 | 1.210 |
Rmerge | 0.090 | |
Completeness [%] | 88.0 | 42.6 |
Redundancy | 8.1 |
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)) |