4BIB
Crystal Structures of Ask1-inhibitor Complexes
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-15 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 77.950, 77.950, 418.430 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.710 - 2.430 |
R-factor | 0.2025 |
Rwork | 0.201 |
R-free | 0.23930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2clq |
RMSD bond length | 0.010 |
RMSD bond angle | 1.160 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.570 | 2.560 |
High resolution limit [Å] | 2.430 | 2.430 |
Rmerge | 0.090 | 0.440 |
Number of reflections | 29686 | |
<I/σ(I)> | 10.2 | 2.9 |
Completeness [%] | 99.9 | 100 |
Redundancy | 4.5 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 18% PEG3.4K, 0.2M NA ACETATE, 0.1M BIS-TRIS PH6.5, 0.2% ISOPROPANOL |