4OBB
The crystal structure of a solute-binding protein from Anabaena variabilis ATCC 29413 in complex with (3S)-3-methyl-2-oxopentanoic acid.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 98.736, 100.814, 150.638 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.861 - 1.526 |
| R-factor | 0.1344 |
| Rwork | 0.132 |
| R-free | 0.17770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nqr |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.049 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.000 | 1.560 |
| High resolution limit [Å] | 1.526 | 1.530 |
| Rmerge | 0.091 | 0.644 |
| Number of reflections | 112676 | |
| <I/σ(I)> | 17.1 | 1.98 |
| Completeness [%] | 99.5 | 99.9 |
| Redundancy | 4.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.2 M Ammonium Sulfate, 0.1 M HEPES:NaOH, 25% (w/v) PEG 3350, 10 mM (3S)-3-methyl-2-oxopentanoic acid., pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
