4RDC
The crystal structure of a solute-binding protein (N280D mutant) from Anabaena variabilis ATCC 29413 in complex with proline
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 | 2013-11-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.011, 113.357, 40.404 |
Unit cell angles | 90.00, 105.94, 90.00 |
Refinement procedure
Resolution | 19.581 - 1.198 |
R-factor | 0.1337 |
Rwork | 0.133 |
R-free | 0.15550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | :4NQR |
RMSD bond length | 0.005 |
RMSD bond angle | 1.094 |
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] | 20.000 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.069 | 0.526 |
Number of reflections | 93123 | |
<I/σ(I)> | 37.4 | 2.23 |
Completeness [%] | 98.8 | 91.9 |
Redundancy | 3.8 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | ORIGINAL CRYSTALLIZATION CONDITION:0.2M MgCl, 0.1M BIS-TRIS:HCl, 25%(w/v)PEG3350, 10MM Alanine. CRYSTAL SOAKING CONDITION:0.2M MgCl, 0.1M BIS-TRIS:HCl, 25%(w/v)PEG3350, 10MM Proline, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |