1A3Q
HUMAN NF-KAPPA-B P52 BOUND TO DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 1996-11 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.200, 121.000, 134.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.100 |
R-factor | 0.219 * |
Rwork | 0.219 |
R-free | 0.32000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | MODIFIED HUMAN NF-KAPPAB P50-DNA COMPLEX PDB ENTRY |
RMSD bond length | 0.013 |
RMSD bond angle | 1.640 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.061 * | 0.312 * |
Total number of observations | 124281 * | |
Number of reflections | 39642 | 4127 * |
<I/σ(I)> | 10.5 | 2.63 |
Completeness [%] | 91.8 | 78.1 |
Redundancy | 3.1 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 20 * | THE PROTEIN-DNA COMPLEX WAS CRYSTALLIZED USING THE HANGING DROP METHOD. THE RESERVOIR SOLUTION CONTAINED 5% PEG 4000, 5 MM MGSO4, 50 MM MES PH 6.0 AND 3 MM DTT. DROPS CONTAINED A 1:1 MIXTURE OF COMPLEX SOLUTION AND RESERVOIR SOLUTION., vapor diffusion - hanging drop |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | PEG 4000 | ||
2 | 1 | 1 | MGSO4 | ||
3 | 1 | 1 | MES | ||
4 | 1 | 1 | DTT | ||
5 | 1 | 2 | PEG 4000 | ||
6 | 1 | 2 | MGSO4 | ||
7 | 1 | 2 | MES | ||
8 | 1 | 2 | DTT |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | P52 homodimer | 10 (mg/ml) | |
10 | 1 | reservoir | dithiothreitol | 3 (mM) | |
2 | 1 | drop | DNA duplex | 5 (mg/ml) | |
3 | 1 | drop | HEPES | 5 (mM) | |
4 | 1 | drop | 50 (mM) | ||
5 | 1 | drop | 2.5 (mM) | ||
6 | 1 | drop | dithiothreitol | 1.5 (mM) | |
7 | 1 | reservoir | HEPES | 10 (mM) | |
8 | 1 | reservoir | 100 (mM) | ||
9 | 1 | reservoir | 5 (mM) |