4BV7
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 | 2011-02-18 |
| Detector | RIGAKU CCD-A200-CU |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.068, 45.111, 53.123 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.390 - 1.700 |
| R-factor | 0.16782 |
| Rwork | 0.167 |
| R-free | 0.18974 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kiv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.456 |
| 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] | 34.000 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.010 | 0.420 |
| Number of reflections | 6648 | |
| <I/σ(I)> | 8.7 | 2.1 |
| Completeness [%] | 98.0 | 79 |
| Redundancy | 11 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 25 % PEG4000, 0.1M NAOAC, 8% 2-PROPANOL |
