4BVD
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 | 2011-02-28 |
| Detector | RIGAKU A200-CU |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 24.240, 45.270, 58.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.380 - 1.680 |
| R-factor | 0.1775 |
| Rwork | 0.176 |
| R-free | 0.21367 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kiv |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.616 |
| 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] | 21.000 | 1.720 |
| High resolution limit [Å] | 1.700 | 1.640 |
| Rmerge | 0.070 | 0.210 |
| Number of reflections | 7776 | |
| <I/σ(I)> | 8.1 | 17.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.1 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 25% PEG4000, 0.1M TRIS PH 8.5, 0.2 M CACL2 |
