1BSO
12-BROMODODECANOIC ACID BINDS INSIDE THE CALYX OF BOVINE BETA-LACTOGLOBULIN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-03-15 |
| Detector | RIGAKU |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 54.026, 54.026, 112.183 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.000 - 2.230 |
| R-factor | 0.234 * |
| Rwork | 0.234 |
| R-free | 0.27600 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | BLGA IN LATTICE Z AT PH 7.1 |
| RMSD bond length | 0.007 * |
| RMSD bond angle | 1.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.280 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Rmerge | 0.048 | 0.548 |
| Number of reflections | 9695 | |
| <I/σ(I)> | 18.73 | 2.04 |
| Completeness [%] | 99.5 | 98.7 * |
| Redundancy | 2.62 | 2.64 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.3 | PROTEIN WAS CRYSTALLIZED FROM AMMONIUM SULFATE, pH 7.3 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 18 (mg/ml) | |
| 2 | 1 | reservoir | ammonium sulfate | 2.2-2.8 (M) | |
| 3 | 1 | reservoir | cacodylic acid-KOH | 0.20 (M) | pH6.1 |
| 4 | 1 | reservoir | Bis-Tris-HCl | 0.20 (M) | pH6.9 |
| 5 | 1 | reservoir | Tris-HCl | 0.20 (M) | pH7.7 |
| 6 | 1 | reservoir | TAPSO-KOH | 0.20 (M) | pH8.5 |
