4BV5
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-04 |
| Detector | RIGAKU A200-CU |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 24.410, 45.250, 56.100 |
| Unit cell angles | 90.00, 90.67, 90.00 |
Refinement procedure
| Resolution | 28.060 - 2.100 |
| R-factor | 0.19187 |
| Rwork | 0.190 |
| R-free | 0.23013 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kiv |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.751 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.030 | 0.980 |
| Number of reflections | 6931 | |
| <I/σ(I)> | 5.9 | 1.8 |
| Completeness [%] | 95.4 | 92 |
| Redundancy | 6.4 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 30% PEG400, 0.1M CACL2, 0.1M NAOAC PH 4.6 |
