3I16
Crystal structure of carbon-sulfur lyase involved in aluminum resistance (YP_878183.1) from Clostridium novyi NT at 2.00 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-19 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91162,0.97959,0.97944 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.645, 108.999, 207.556 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.770 - 2.000 |
| R-factor | 0.168 |
| Rwork | 0.165 |
| R-free | 0.20600 |
| Structure solution method | MAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.465 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.775 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.064 | 0.676 |
| Number of reflections | 120764 | |
| <I/σ(I)> | 9.16 | 1.1 |
| Completeness [%] | 99.8 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 293 | 20.9000% polyethylene glycol 3350, 0.2360M di-ammonium tartrate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
