4OTZ
The crystal structure of a solute-binding protein (N280D mutant) from Anabaena variabilis ATCC 29413 in complex with cystein
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 | 2013-11-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97883 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 98.738, 100.952, 150.458 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.847 - 1.360 |
R-factor | 0.1406 |
Rwork | 0.139 |
R-free | 0.16660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | : 4NQR |
RMSD bond length | 0.005 |
RMSD bond angle | 1.044 |
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 | 1.380 |
High resolution limit [Å] | 1.360 | 1.360 |
Rmerge | 0.067 | 0.588 |
Number of reflections | 158080 | |
<I/σ(I)> | 31.3 | 1.6 |
Completeness [%] | 98.7 | 83.8 |
Redundancy | 5.9 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | Original crystallization condition: 0.2 M Potassium Chloride, 20% (w/v) PEG 3350, 10mM valine. Crystal soaking condition: 0.2 M Potassium Chloride, 20% (w/v) PEG 3350, 10mM cystein, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |