1RF2
Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV4
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 | 2003-06-29 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9626 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 102.235, 66.028, 78.642 |
Unit cell angles | 90.00, 105.80, 90.00 |
Refinement procedure
Resolution | 49.390 - 1.350 |
R-factor | 0.13439 |
Rwork | 0.132 |
R-free | 0.17389 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3chb |
RMSD bond length | 0.012 |
RMSD bond angle | 1.417 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.400 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.081 | 0.591 |
Number of reflections | 104314 | |
<I/σ(I)> | 13.5 | 1.8 |
Completeness [%] | 94.2 | 69.3 |
Redundancy | 3.5 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 16% PEG 8000, 50 mM NaCl, 100 mM Tris-HCl, 20mM MgCl2, and 2.3mM BV4, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |