1CIT
DNA-BINDING MECHANISM OF THE MONOMERIC ORPHAN NUCLEAR RECEPTOR NGFI-B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.420, 34.240, 56.260 |
| Unit cell angles | 90.00, 109.13, 90.00 |
Refinement procedure
| Resolution | 18.000 - 2.700 |
| Rwork | 0.219 |
| R-free | 0.29500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hcq |
| RMSD bond length | 0.016 |
| RMSD bond angle | 21.600 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | CNS (0.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.073 * | 0.368 * |
| Number of reflections | 5200 | |
| <I/σ(I)> | 14.5 | 3.1 |
| Completeness [%] | 95.0 | 96.9 |
| Redundancy | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 * | 27 * | drop consists of 1:1 mixture of well and protein solutions * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 10 (mM) | |
| 3 | 1 | drop | 50 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 1 (mM) | |
| 5 | 1 | reservoir | Mops | 50 (mM) | |
| 6 | 1 | reservoir | 0.25 (M) | ||
| 7 | 1 | reservoir | PEG4000 | 29-30 (%) | |
| 8 | 1 | reservoir | dithiothreitol | 5 (mM) |
