4BVW
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-20 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.554, 34.129, 67.241 |
| Unit cell angles | 90.00, 92.76, 90.00 |
Refinement procedure
| Resolution | 24.680 - 2.000 |
| R-factor | 0.19399 |
| Rwork | 0.192 |
| R-free | 0.24412 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1i71 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.236 |
| 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] | 30.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.130 | 0.530 |
| Number of reflections | 10414 | |
| <I/σ(I)> | 6.6 | 1.9 |
| Completeness [%] | 96.1 | 94.6 |
| Redundancy | 3.1 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 19% PEG 6000, 0.1 M NAOAC, 12% ETHYLENE GLYCOL, 1M LISO4 |
