2AKQ
The structure of bovine B-lactoglobulin A in crystals grown at very low ionic strength
Replaces: 1MFHExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 115 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-02-15 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.191, 68.231, 131.455 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 3.000 |
| R-factor | 0.2143 |
| Rwork | 0.224 |
| R-free | 0.26570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1beb |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.006 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.097 | 0.298 |
| Number of reflections | 12501 | |
| <I/σ(I)> | 10.3 | 3 |
| Completeness [%] | 92.6 | 94.3 |
| Redundancy | 12 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICRODIALYSIS | 5.2 | 295 | Ultra pure water, pH 5.20, MICRODIALYSIS, temperature 295K |
