3KE2
CRYSTAL STRUCTURE OF a DUF2131 family protein (SAMA_2911) FROM SHEWANELLA AMAZONENSIS SB2B AT 2.50 A RESOLUTION
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-08 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91162,0.97917 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 66.479, 100.509, 114.583 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.921 - 2.500 |
| R-factor | 0.216 |
| Rwork | 0.214 |
| R-free | 0.25400 |
| Structure solution method | MAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.479 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.921 | 29.921 | 2.590 |
| High resolution limit [Å] | 2.500 | 5.350 | 2.500 |
| Rmerge | 0.056 | 0.022 | 0.423 |
| Number of reflections | 13572 | 2561 | 2530 |
| <I/σ(I)> | 12.08 | 30.5 | 1.8 |
| Completeness [%] | 98.7 | 97.3 | 98.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 277 | 0.2000M K2NO3, 20.0000% PEG-3350, No Buffer pH 6.9, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
