3LBZ
Crystal Structure of the BCL6 BTB domain complexed with the small molecule inhibitor 79-6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-24 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 101.712, 38.611, 78.817 |
Unit cell angles | 90.00, 114.70, 90.00 |
Refinement procedure
Resolution | 46.225 - 2.300 |
R-factor | 0.2154 |
Rwork | 0.213 |
R-free | 0.26860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1r29 |
RMSD bond length | 0.030 |
RMSD bond angle | 2.929 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.225 | 2.400 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.066 | 0.158 |
Number of reflections | 12353 | |
<I/σ(I)> | 17.86 | 11.36 |
Completeness [%] | 97.5 | 96.9 |
Redundancy | 4.1 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 296 | 1 microliter of protein solution (9.5 mg/ml BCL6-BTB in 20 mM Tris pH 8.3, 450 mM NaCl, 1 mM TCEP) was mixed with 1 microliter of reservoir solution (180 mM sodium acetate, 190 mM sodium formate, 10% Glycerol, 50 mM NaCl and 10mM N-(4-bromophenylsulfonyl)acetamide), VAPOR DIFFUSION, HANGING DROP, temperature 296K |