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 |