4BV5
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 | 2010-10-04 |
Detector | RIGAKU A200-CU |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 24.410, 45.250, 56.100 |
Unit cell angles | 90.00, 90.67, 90.00 |
Refinement procedure
Resolution | 28.060 - 2.100 |
R-factor | 0.19187 |
Rwork | 0.190 |
R-free | 0.23013 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kiv |
RMSD bond length | 0.015 |
RMSD bond angle | 1.751 |
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] | 28.000 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.030 | 0.980 |
Number of reflections | 6931 | |
<I/σ(I)> | 5.9 | 1.8 |
Completeness [%] | 95.4 | 92 |
Redundancy | 6.4 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.6 | 30% PEG400, 0.1M CACL2, 0.1M NAOAC PH 4.6 |