3S6K
Crystal structure of xcNAGS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2006-10-05 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9734 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 133.228, 133.228, 191.364 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.072 - 2.802 |
R-factor | 0.3244 |
Rwork | 0.321 |
R-free | 0.38780 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.647 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | ISIR |
Refinement software | PHENIX (1.5_2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.072 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.065 | 0.334 |
Number of reflections | 33401 | |
<I/σ(I)> | 55.2 | 2.5 |
Completeness [%] | 83.3 | 54 |
Redundancy | 17.2 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 1.4 M Sodium malonate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |