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 |