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) |