3L1A
Structural ordering of disordered ligand binding loops of biotin protein ligase into active conformations as a consequence of dehydration
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.933, 63.802, 103.554 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.989 - 2.690 |
| R-factor | 0.2415 |
| Rwork | 0.233 |
| R-free | 0.31280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cgh |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.353 |
| Data reduction software | AUTOMAR |
| Phasing software | PHENIX ((AutoMR)) |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.989 | 2.820 |
| High resolution limit [Å] | 2.690 | 2.690 |
| Rmerge | 0.087 | 0.349 |
| Number of reflections | 13250 | |
| <I/σ(I)> | 4.3 | 2.1 |
| Completeness [%] | 98.7 | 96.8 |
| Redundancy | 3.2 | 3.25 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 12-16% PEG 4000, PEG 8000, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
