1I3U
THREE-DIMENSIONAL STRUCTURE OF A LLAMA VHH DOMAIN COMPLEXED WITH THE DYE RR1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID2 |
| Synchrotron site | ESRF |
| Beamline | ID2 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.988 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 77.435, 77.435, 175.019 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 18.500 - 1.950 |
| R-factor | 0.232 |
| Rwork | 0.232 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | VHH52 anti-R1 unliganded |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.057 * | 0.144 * |
| Total number of observations | 189080 * | |
| Number of reflections | 15022 | |
| <I/σ(I)> | 4.7 | 4.7 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 2.7 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 20 * | MME 5000, sodium acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8 (mg/ml) | |
| 2 | 1 | reservoir | ammonium sulfate | 0.9-1.8 (M) | |
| 3 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |
| 4 | 1 | reservoir | PEG400 | 1 (%) |
