3PT5
Crystal structure of NanS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-15 |
| Detector | Mar225 |
| Wavelength(s) | 0.97923 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.080, 57.919, 135.392 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.840 - 1.600 |
| R-factor | 0.20335 |
| Rwork | 0.201 |
| R-free | 0.24272 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.434 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0065) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 3.450 | 1.600 |
| Rmerge | 0.075 | 0.042 | 0.423 |
| Number of reflections | 40446 | ||
| <I/σ(I)> | 13.8 | ||
| Completeness [%] | 92.8 | 93.1 | 100 |
| Redundancy | 7.2 | 6.7 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | 0.2 M NaCl, 0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350, vapor diffusion, sitting drop, temperature 295K |
