1PV4
X-ray crystal structure of the Rho transcription termination factor in complex with single stranded DNA
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2002-02-10 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.05, 1.0, 0.9794 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.556, 204.327, 147.370 |
| Unit cell angles | 90.00, 95.86, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.000 |
| R-factor | 0.27132 |
| Rwork | 0.270 |
| R-free | 0.29600 * |
| Structure solution method | SIR, MAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.470 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.120 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.046 * | 0.272 * |
| Number of reflections | 63958 | |
| <I/σ(I)> | 15.5 | 3.5 |
| Completeness [%] | 97.9 * | 97.8 * |
| Redundancy | 2.2 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 4 * | 0.05M Nacacodylate (pH 6.5), 0.05M NaCl, 2.5% PEG 8K, 20% glycerol, 0.3mM n-Nonyl-beta-D-thiomaltoside, 1mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 18K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 4 * | 0.05M Nacacodylate (pH 6.5), 0.05M NaCl, 2.5% PEG 8K, 20% glycerol, 0.3mM n-Nonyl-beta-D-thiomaltoside, 1mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 18K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 4 * | 0.05M Nacacodylate (pH 6.5), 0.05M NaCl, 2.5% PEG 8K, 20% glycerol, 0.3mM n-Nonyl-beta-D-thiomaltoside, 1mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 18K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Nacacodylate | ||
| 10 | 1 | 2 | Nacacodylate | ||
| 11 | 1 | 2 | H2O | ||
| 2 | 1 | 1 | NaCl | ||
| 3 | 1 | 1 | PEG | ||
| 4 | 1 | 1 | glycerol, | ||
| 5 | 1 | 1 | n-Nonyl-beta-D-thiomaltoside | ||
| 6 | 1 | 1 | TCEP | ||
| 7 | 1 | 1 | H2O | ||
| 8 | 1 | 2 | PEG | ||
| 9 | 1 | 2 | NaCl |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris-HCl | 10 (mM) | pH7.5 |
| 2 | 1 | drop | 50 (mM) | ||
| 3 | 1 | reservoir | sodium cacodylate | 100 (mM) | pH6.5 |
| 4 | 1 | reservoir | 100 (mM) | ||
| 5 | 1 | reservoir | PEG8000 | 5 (%) | |
| 6 | 1 | reservoir | glycerol | 40 (%) | |
| 7 | 1 | reservoir | n-Nonyl-beta-D-thiomaltoside | 0.6 (mM) | |
| 8 | 1 | reservoir | TCEP | 2 (mM) |
