4BVC
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 | 2012-09-12 |
| Detector | RIGAKU CCD-A200-CU |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.550, 45.690, 55.110 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.610 - 1.600 |
| R-factor | 0.15879 |
| Rwork | 0.157 |
| R-free | 0.19419 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kiv |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.714 |
| 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] | 24.600 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.090 | 0.490 |
| Number of reflections | 8006 | |
| <I/σ(I)> | 13 | 1.7 |
| Completeness [%] | 93.0 | 57 |
| Redundancy | 5.9 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 8% PEG8000, 0.1M TRIS PH8.5, 0.2M LISO4 |
