3GUT
Crystal structure of a higher-order complex of p50:RelA bound to the HIV-1 LTR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-02-22 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0688 |
| Spacegroup name | P 42 |
| Unit cell lengths | 167.493, 167.493, 172.757 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.450 - 3.590 |
| Rwork | 0.245 |
| R-free | 0.30100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vkx |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.640 |
| High resolution limit [Å] | 3.500 | 8.180 | 3.500 |
| Rmerge | 0.076 | 0.030 | 0.848 |
| Number of reflections | 47283 | ||
| <I/σ(I)> | 23.101 | ||
| Completeness [%] | 99.6 | 99.3 | 96.5 |
| Redundancy | 7.2 | 7.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 289 | 50mM BTP pH 6.3, 50mM CaCl2, 7% w/v PEG 3000, 1mM Spermine, 10mM DTT, 8% v/v Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | BTP | ||
| 10 | 1 | 2 | Spermine | ||
| 11 | 1 | 2 | DTT | ||
| 12 | 1 | 2 | Glycerol | ||
| 2 | 1 | 1 | CaCl2 | ||
| 3 | 1 | 1 | PEG 3000 | ||
| 4 | 1 | 1 | Spermine | ||
| 5 | 1 | 1 | DTT | ||
| 6 | 1 | 1 | Glycerol | ||
| 7 | 1 | 2 | BTP | ||
| 8 | 1 | 2 | CaCl2 | ||
| 9 | 1 | 2 | PEG 3000 |
