5X4M
Crystal structure of the BCL6 BTB domain in complex with Compound 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-02-27 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 66.425, 66.425, 152.192 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 10.000 - 1.650 |
R-factor | 0.17986 |
Rwork | 0.179 |
R-free | 0.20568 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1r28 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.520 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Number of reflections | 24802 | |
<I/σ(I)> | 36.2 | 1.2 |
Completeness [%] | 99.8 | 96.6 |
Redundancy | 12.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | Bis-Tris, potassium/sodium tartrate |